 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer03_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-6876.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6878.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer03_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Thu Aug 12 21:17:52 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:17:55 2021, MaxMem=  5368709120 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.46D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.61D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:17:56 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:17:56 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:17:58 2021, MaxMem=  5368709120 cpu:              10.6 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.256031088697    
 DIIS: error= 3.01D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.256031088697     IErMin= 1 ErrMin= 3.01D-03
 ErrMax= 3.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-02 BMatP= 2.14D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.01D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.320 Goal=   None    Shift=    0.000
 GapD=    0.320 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.05D-02 MaxDP=8.30D+00              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.35D-02    CP:  1.81D+00
 E= -767.276233522781     Delta-E=       -0.020202434084 Rises=F Damp=F
 DIIS: error= 7.86D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.276233522781     IErMin= 2 ErrMin= 7.86D-04
 ErrMax= 7.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-03 BMatP= 2.14D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.86D-03
 Coeff-Com:  0.595D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.591D-02 0.994D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.29D-02 MaxDP=1.50D+00 DE=-2.02D-02 OVMax= 9.16D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.29D-03    CP:  1.96D+00  1.18D+00
 E= -767.276727625459     Delta-E=       -0.000494102678 Rises=F Damp=F
 DIIS: error= 7.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.276727625459     IErMin= 3 ErrMin= 7.11D-04
 ErrMax= 7.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-04 BMatP= 1.00D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.11D-03
 Coeff-Com: -0.470D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.252D+00 0.748D+00
 Coeff:     -0.467D-01 0.508D+00 0.539D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.43D-03 MaxDP=1.62D-01 DE=-4.94D-04 OVMax= 4.39D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.74D-04    CP:  1.98D+00  1.20D+00  1.11D+00
 E= -767.277358333369     Delta-E=       -0.000630707910 Rises=F Damp=F
 DIIS: error= 8.94D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.277358333369     IErMin= 4 ErrMin= 8.94D-05
 ErrMax= 8.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-05 BMatP= 9.42D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.762D-02 0.638D-02 0.950D-01 0.906D+00
 Coeff:     -0.762D-02 0.638D-02 0.950D-01 0.906D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.13D-04 MaxDP=2.55D-02 DE=-6.31D-04 OVMax= 1.47D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.88D-04    CP:  1.98D+00  1.20D+00  1.18D+00  1.35D+00
 E= -767.277381506442     Delta-E=       -0.000023173073 Rises=F Damp=F
 DIIS: error= 4.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.277381506442     IErMin= 5 ErrMin= 4.63D-05
 ErrMax= 4.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-06 BMatP= 1.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-02-0.497D-01-0.195D-01 0.402D+00 0.666D+00
 Coeff:      0.161D-02-0.497D-01-0.195D-01 0.402D+00 0.666D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=8.98D-05 MaxDP=7.90D-03 DE=-2.32D-05 OVMax= 7.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.45D-05    CP:  1.98D+00  1.20D+00  1.20D+00  1.46D+00  1.27D+00
 E= -767.277387508920     Delta-E=       -0.000006002478 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.277387508920     IErMin= 6 ErrMin= 2.11D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-07 BMatP= 5.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-02-0.208D-01-0.239D-01 0.282D-01 0.260D+00 0.755D+00
 Coeff:      0.179D-02-0.208D-01-0.239D-01 0.282D-01 0.260D+00 0.755D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=5.32D-05 MaxDP=6.26D-03 DE=-6.00D-06 OVMax= 3.72D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.42D-05    CP:  1.98D+00  1.20D+00  1.20D+00  1.49D+00  1.39D+00
                    CP:  1.34D+00
 E= -767.277388533877     Delta-E=       -0.000001024957 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.277388533877     IErMin= 7 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-08 BMatP= 6.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-03 0.174D-02-0.441D-02-0.597D-01-0.259D-01 0.238D+00
 Coeff-Com:  0.850D+00
 Coeff:      0.315D-03 0.174D-02-0.441D-02-0.597D-01-0.259D-01 0.238D+00
 Coeff:      0.850D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.76D-05 MaxDP=3.30D-03 DE=-1.02D-06 OVMax= 2.16D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.73D-06    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.44D+00
                    CP:  1.46D+00  1.62D+00
 E= -767.277388763548     Delta-E=       -0.000000229671 Rises=F Damp=F
 DIIS: error= 5.37D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.277388763548     IErMin= 8 ErrMin= 5.37D-06
 ErrMax= 5.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-08 BMatP= 8.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-03 0.379D-02 0.297D-02-0.210D-01-0.470D-01-0.616D-01
 Coeff-Com:  0.230D+00 0.893D+00
 Coeff:     -0.206D-03 0.379D-02 0.297D-02-0.210D-01-0.470D-01-0.616D-01
 Coeff:      0.230D+00 0.893D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=7.37D-06 MaxDP=7.46D-04 DE=-2.30D-07 OVMax= 1.19D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.12D-06    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.84D+00  1.43D+00
 E= -767.277388805469     Delta-E=       -0.000000041921 Rises=F Damp=F
 DIIS: error= 1.99D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.277388805469     IErMin= 9 ErrMin= 1.99D-06
 ErrMax= 1.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-09 BMatP= 1.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-03 0.114D-02 0.192D-02 0.747D-03-0.143D-01-0.632D-01
 Coeff-Com: -0.474D-01 0.372D+00 0.749D+00
 Coeff:     -0.120D-03 0.114D-02 0.192D-02 0.747D-03-0.143D-01-0.632D-01
 Coeff:     -0.474D-01 0.372D+00 0.749D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=3.19D-06 MaxDP=2.87D-04 DE=-4.19D-08 OVMax= 4.21D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.93D+00  1.60D+00  1.33D+00
 E= -767.277388812709     Delta-E=       -0.000000007241 Rises=F Damp=F
 DIIS: error= 6.16D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.277388812709     IErMin=10 ErrMin= 6.16D-07
 ErrMax= 6.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-10 BMatP= 3.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.248D-06-0.317D-03 0.699D-04 0.373D-02 0.441D-02-0.523D-02
 Coeff-Com: -0.517D-01-0.590D-01 0.158D+00 0.950D+00
 Coeff:     -0.248D-06-0.317D-03 0.699D-04 0.373D-02 0.441D-02-0.523D-02
 Coeff:     -0.517D-01-0.590D-01 0.158D+00 0.950D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.42D-06 MaxDP=2.75D-04 DE=-7.24D-09 OVMax= 2.23D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.71D-07    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.97D+00  1.67D+00  1.47D+00  1.32D+00
 E= -767.277388813860     Delta-E=       -0.000000001151 Rises=F Damp=F
 DIIS: error= 2.00D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.277388813860     IErMin=11 ErrMin= 2.00D-07
 ErrMax= 2.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-11 BMatP= 3.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-04-0.279D-03-0.238D-03 0.131D-02 0.364D-02 0.669D-02
 Coeff-Com: -0.131D-01-0.691D-01-0.486D-01 0.355D+00 0.765D+00
 Coeff:      0.166D-04-0.279D-03-0.238D-03 0.131D-02 0.364D-02 0.669D-02
 Coeff:     -0.131D-01-0.691D-01-0.486D-01 0.355D+00 0.765D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=4.68D-07 MaxDP=4.21D-05 DE=-1.15D-09 OVMax= 7.82D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.27D-07    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.98D+00  1.69D+00  1.53D+00  1.44D+00
                    CP:  1.21D+00
 E= -767.277388813929     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.277388813929     IErMin=12 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.99D-12 BMatP= 6.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.367D-05-0.468D-05-0.701D-04-0.405D-03 0.133D-04 0.264D-02
 Coeff-Com:  0.648D-02-0.391D-02-0.453D-01-0.812D-01 0.180D+00 0.942D+00
 Coeff:      0.367D-05-0.468D-05-0.701D-04-0.405D-03 0.133D-04 0.264D-02
 Coeff:      0.648D-02-0.391D-02-0.453D-01-0.812D-01 0.180D+00 0.942D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.40D-07 MaxDP=2.07D-05 DE=-6.91D-11 OVMax= 5.01D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.98D+00  1.69D+00  1.54D+00  1.50D+00
                    CP:  1.37D+00  1.32D+00
 E= -767.277388814148     Delta-E=       -0.000000000219 Rises=F Damp=F
 DIIS: error= 6.02D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -767.277388814148     IErMin=13 ErrMin= 6.02D-08
 ErrMax= 6.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-12 BMatP= 9.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.221D-05 0.496D-04 0.275D-04-0.322D-03-0.644D-03-0.629D-03
 Coeff-Com:  0.337D-02 0.120D-01-0.168D-02-0.759D-01-0.111D+00 0.155D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.221D-05 0.496D-04 0.275D-04-0.322D-03-0.644D-03-0.629D-03
 Coeff:      0.337D-02 0.120D-01-0.168D-02-0.759D-01-0.111D+00 0.155D+00
 Coeff:      0.102D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=1.68D-05 DE=-2.19D-10 OVMax= 2.92D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.64D-08    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.98D+00  1.69D+00  1.54D+00  1.51D+00
                    CP:  1.45D+00  1.54D+00  1.51D+00
 E= -767.277388814045     Delta-E=        0.000000000103 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -767.277388814148     IErMin=14 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-13 BMatP= 1.96D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-05 0.165D-04 0.260D-04-0.505D-05-0.206D-03-0.855D-03
 Coeff-Com: -0.509D-03 0.477D-02 0.101D-01-0.382D-02-0.767D-01-0.187D+00
 Coeff-Com:  0.344D+00 0.911D+00
 Coeff:     -0.156D-05 0.165D-04 0.260D-04-0.505D-05-0.206D-03-0.855D-03
 Coeff:     -0.509D-03 0.477D-02 0.101D-01-0.382D-02-0.767D-01-0.187D+00
 Coeff:      0.344D+00 0.911D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=5.24D-08 MaxDP=4.21D-06 DE= 1.03D-10 OVMax= 1.47D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.28D-08    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.98D+00  1.69D+00  1.55D+00  1.52D+00
                    CP:  1.47D+00  1.63D+00  1.79D+00  1.31D+00
 E= -767.277388814047     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 8.36D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -767.277388814148     IErMin=15 ErrMin= 8.36D-09
 ErrMax= 8.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-14 BMatP= 5.57D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-06-0.724D-05-0.338D-07 0.692D-04 0.975D-04-0.686D-04
 Coeff-Com: -0.838D-03-0.157D-02 0.290D-02 0.162D-01 0.684D-02-0.824D-01
 Coeff-Com: -0.132D+00 0.204D+00 0.987D+00
 Coeff:      0.151D-06-0.724D-05-0.338D-07 0.692D-04 0.975D-04-0.686D-04
 Coeff:     -0.838D-03-0.157D-02 0.290D-02 0.162D-01 0.684D-02-0.824D-01
 Coeff:     -0.132D+00 0.204D+00 0.987D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=2.98D-08 MaxDP=2.25D-06 DE=-1.82D-12 OVMax= 5.38D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  1.06D-08    CP:  1.98D+00  1.20D+00  1.20D+00  1.50D+00  1.45D+00
                    CP:  1.52D+00  1.98D+00  1.69D+00  1.55D+00  1.53D+00
                    CP:  1.48D+00  1.64D+00  1.91D+00  1.55D+00  1.28D+00
 E= -767.277388813976     Delta-E=        0.000000000071 Rises=F Damp=F
 DIIS: error= 2.16D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -767.277388814148     IErMin=16 ErrMin= 2.16D-09
 ErrMax= 2.16D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-15 BMatP= 6.86D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-06-0.346D-05-0.267D-05 0.186D-04 0.477D-04 0.657D-04
 Coeff-Com: -0.151D-03-0.875D-03-0.156D-03 0.437D-02 0.907D-02-0.266D-02
 Coeff-Com: -0.635D-01-0.400D-01 0.241D+00 0.853D+00
 Coeff:      0.197D-06-0.346D-05-0.267D-05 0.186D-04 0.477D-04 0.657D-04
 Coeff:     -0.151D-03-0.875D-03-0.156D-03 0.437D-02 0.907D-02-0.266D-02
 Coeff:     -0.635D-01-0.400D-01 0.241D+00 0.853D+00
 Gap=     0.294 Goal=   None    Shift=    0.000
 RMSDP=8.73D-09 MaxDP=9.18D-07 DE= 7.12D-11 OVMax= 9.66D-08

 SCF Done:  E(RM11) =  -767.277388814     A.U. after   16 cycles
            NFock= 16  Conv=0.87D-08     -V/T= 2.0063
 KE= 7.624548042035D+02 PE=-4.059583758124D+03 EE= 1.393372155263D+03
 Leave Link  502 at Thu Aug 12 21:49:04 2021, MaxMem=  5368709120 cpu:           14915.2 elap:            1866.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.10921591D+03

 Leave Link  801 at Thu Aug 12 21:49:05 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 3.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.02D-01 7.25D-02.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 4.58D-02 6.74D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 6.53D-03 2.25D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.25D-03 8.51D-03.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 2.08D-04 3.20D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.75D-05 9.14D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 9.78D-07 1.41D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 6.68D-08 2.47D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 2.48D-09 3.67D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 7.71D-11 1.12D-06.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 2.97D-12 2.26D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 1.27D-13 2.66D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 2.38D-14 8.56D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.291041D+03
      2 -0.110446D+02  0.177270D+03
      3 -0.991443D+01 -0.808941D+01  0.123290D+03
 Isotropic polarizability for W=    0.088559      197.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.311404D+03 -0.943464D+02 -0.144766D+02
      2  -0.138996D+03  0.775149D+02 -0.136389D+02
      3  -0.172408D+03  0.168315D+02  0.281155D+02
      4  -0.164890D+02  0.121652D+03 -0.413302D+02
      5   0.495019D+02 -0.497516D+02 -0.534146D+02
      6  -0.230766D+02  0.418439D+02  0.270931D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.983996D+01  0.202340D+02 -0.160261D+02
      2  -0.245075D+02 -0.126230D+02 -0.250541D+02
      3   0.492029D+02 -0.600152D+02  0.199792D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.842138D+01  0.554828D+02 -0.102616D+02
      2  -0.639785D+02 -0.182536D+02  0.118994D+03
      3   0.778574D+02 -0.260648D+03  0.266750D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.157275D+01  0.641146D-02  0.155277D+00
      2   0.641146D-02  0.506199D+00  0.356046D+01
      3   0.155277D+00  0.356046D+01 -0.456272D+01
 OR G Eigenvalues:    -6.4009     1.5674     2.3498  Iso=     0.8279
 Eigenvectors:
   (1)  -0.016939  -0.458105   0.888736
   (2)   0.994973  -0.095469  -0.030247
   (3)   0.098703   0.883756   0.457420
 w=    0.088559 a.u., Optical Rotation Beta=      0.8279 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      182.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.98D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.08D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 2.70D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 4.15D-02 2.93D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 8.15D-03 1.69D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 2.04D-04 2.11D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 6.08D-06 2.09D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.81D-07 3.55D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 3.22D-09 4.43D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 5.37D-11 6.52D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 8.43D-13 7.36D-08.
      7 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 2.43D-14 1.20D-08.
      2 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 9.13D-15 5.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   279 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.10D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.10D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.14D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291041D+03 -0.110446D+02 -0.991443D+01
      2  -0.110446D+02  0.177270D+03 -0.808941D+01
      3  -0.991443D+01 -0.808941D+01  0.123290D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.983996D+01  0.202340D+02 -0.160261D+02
      2  -0.245075D+02 -0.126230D+02 -0.250541D+02
      3   0.492029D+02 -0.600152D+02  0.199792D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.311404D+03 -0.943464D+02 -0.144766D+02
      2  -0.138996D+03  0.775149D+02 -0.136389D+02
      3  -0.172408D+03  0.168315D+02  0.281155D+02
      4  -0.164890D+02  0.121652D+03 -0.413302D+02
      5   0.495019D+02 -0.497516D+02 -0.534146D+02
      6  -0.230766D+02  0.418439D+02  0.270931D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.351554D+02  0.690868D+01  0.775917D+00 -0.369741D+02  0.117742D+02
      2   0.690868D+01 -0.305185D+01 -0.257677D-01  0.117742D+02 -0.113473D+02
      3   0.775917D+00 -0.257677D-01  0.263190D-01  0.679361D-01  0.124460D+01
                 6             7             8             9            10 
      1   0.679361D-01  0.937063D+01 -0.290267D+01 -0.865697D+00  0.437866D+02
      2   0.124460D+01 -0.290267D+01  0.189659D+01 -0.134785D+01 -0.941917D+01
      3   0.411175D+00 -0.865697D+00 -0.134785D+01  0.516858D+00 -0.102716D+01
                11            12            13            14            15 
      1  -0.941917D+01 -0.102716D+01  0.346461D+02 -0.104401D+02  0.110849D+00
      2   0.679709D+01 -0.694950D+00 -0.104401D+02  0.929074D+01 -0.908661D+00
      3  -0.694950D+00 -0.357009D+00  0.110849D+00 -0.908661D+00 -0.305008D+00
                16            17            18            19            20 
      1  -0.918133D+01  0.288834D+01  0.143874D+01  0.314821D+02 -0.706523D+01
      2   0.288834D+01 -0.184569D+01  0.112430D+01 -0.706523D+01  0.489655D+01
      3   0.143874D+01  0.112430D+01 -0.304143D+00 -0.464125D+00 -0.574767D+00
                21            22            23            24            25 
      1  -0.464125D+00 -0.221077D+02  0.396831D+01 -0.511799D-01  0.248718D+01
      2  -0.574767D+00  0.396831D+01 -0.534625D+01 -0.108797D+00 -0.769002D+00
      3   0.793783D-01 -0.511799D-01 -0.108797D+00 -0.170263D+01 -0.101741D+01
                26            27            28            29            30 
      1  -0.769002D+00 -0.101741D+01 -0.405923D+02  0.589251D+01  0.812288D+00
      2  -0.437734D+00 -0.262275D+01  0.589251D+01 -0.295485D+01 -0.250468D+00
      3  -0.262275D+01  0.167262D+01  0.812288D+00 -0.250468D+00 -0.203861D+01
                31            32            33            34            35 
      1   0.134442D+02 -0.175962D+01 -0.128218D+01 -0.329478D+01 -0.698310D+00
      2  -0.175962D+01  0.973064D+01 -0.148597D+01 -0.698310D+00 -0.964897D+00
      3  -0.128218D+01 -0.148597D+01  0.360191D+00 -0.556780D+01  0.113178D+01
                36            37            38            39            40 
      1  -0.556780D+01 -0.381965D+01 -0.314388D+00 -0.138882D-01  0.806989D+01
      2   0.113178D+01 -0.314388D+00 -0.945309D+01  0.146000D+01 -0.197880D+01
      3   0.424198D+00 -0.138882D-01  0.146000D+01 -0.269925D+01 -0.580288D+00
                41            42            43            44            45 
      1  -0.197880D+01 -0.580288D+00 -0.154797D+01 -0.464384D+00 -0.470066D+01
      2  -0.186186D+01  0.136265D+01 -0.464384D+00  0.240326D+01  0.302377D+01
      3   0.136265D+01  0.139808D+01 -0.470066D+01  0.302377D+01 -0.701661D+00
                46            47            48            49            50 
      1   0.912196D+01 -0.237000D+01  0.289805D+00  0.218059D+00 -0.108799D+01
      2  -0.237000D+01  0.754965D+01 -0.449175D+00 -0.108799D+01 -0.522224D-01
      3   0.289805D+00 -0.449175D+00  0.257599D+01  0.473472D+00  0.107540D+01
                51            52            53            54            55 
      1   0.473472D+00 -0.323645D+00  0.788438D+00  0.117776D+01 -0.136111D+02
      2   0.107540D+01  0.788438D+00  0.109000D+01  0.361711D+01  0.416865D+01
      3   0.100788D+01  0.117776D+01  0.361711D+01 -0.193475D+01 -0.158408D+00
                56            57            58            59            60 
      1   0.416865D+01 -0.158408D+00  0.410003D+01 -0.585675D+00 -0.654554D+00
      2  -0.103352D+02  0.989440D+00 -0.585675D+00  0.169602D+01 -0.121595D+01
      3   0.989440D+00 -0.256174D+01 -0.654554D+00 -0.121595D+01 -0.105212D+01
                61            62            63            64            65 
      1  -0.174483D+00 -0.837214D+00 -0.163007D+01 -0.259406D+01 -0.250940D+01
      2  -0.837214D+00 -0.911034D+00 -0.323520D+01 -0.250940D+01 -0.145652D+01
      3  -0.163007D+01 -0.323520D+01  0.200630D+01  0.476480D+00  0.309063D+00
                66            67            68            69            70 
      1   0.476480D+00 -0.337189D+01 -0.290003D+01  0.752013D+00  0.652173D+00
      2   0.309063D+00 -0.290003D+01 -0.507842D+01  0.991373D+00  0.683080D+00
      3  -0.491894D+00  0.752013D+00  0.991373D+00 -0.970964D+00 -0.298162D+00
                71            72            73            74            75 
      1   0.683080D+00 -0.298162D+00 -0.464760D+01  0.325029D+01 -0.247011D+00
      2   0.964701D+00 -0.415764D+00  0.325029D+01 -0.341343D+01  0.340766D+00
      3  -0.415764D+00  0.235028D+00 -0.247011D+00  0.340766D+00 -0.387314D+00
                76            77            78            79            80 
      1   0.342309D+01 -0.453114D+01  0.701170D+00 -0.348888D+00  0.802887D+00
      2  -0.453114D+01  0.780180D+01 -0.920328D+00  0.802887D+00 -0.124300D+01
      3   0.701170D+00 -0.920328D+00  0.854648D+00  0.375453D+00  0.338177D+00
                81            82            83            84            85 
      1   0.375453D+00  0.185134D+01  0.222789D+01 -0.494901D+00  0.108795D+01
      2   0.338177D+00  0.222789D+01  0.324191D+01 -0.656938D+00  0.254147D+01
      3  -0.238443D+00 -0.494901D+00 -0.656938D+00  0.463677D+00 -0.478636D+00
                86            87            88            89            90 
      1   0.254147D+01 -0.478636D+00 -0.345828D+00 -0.598690D+00  0.178589D+00
      2   0.883722D+01 -0.159275D+01 -0.598690D+00 -0.191049D+01  0.443995D+00
      3  -0.159275D+01  0.110069D+01  0.178589D+00  0.443995D+00 -0.286672D+00
                91            92            93            94            95 
      1   0.132889D+02 -0.159125D+01  0.335823D+00  0.382563D+01  0.130703D+01
      2  -0.159125D+01  0.151477D+01  0.777711D+00  0.130703D+01 -0.351174D+01
      3   0.335823D+00  0.777711D+00  0.321004D+01  0.364324D+00  0.209282D+01
                96            97            98            99           100 
      1   0.364324D+00 -0.281826D+01  0.113757D+01  0.766417D+01  0.878853D+01
      2   0.209282D+01  0.113757D+01  0.186677D+01  0.145446D+00 -0.668865D+00
      3   0.141981D+01  0.766417D+01  0.145446D+00 -0.177219D+01 -0.166975D+01
               101           102           103           104           105 
      1  -0.668865D+00 -0.166975D+01 -0.203157D+01 -0.180871D+01 -0.400358D-01
      2  -0.176767D+01 -0.503679D+00 -0.180871D+01  0.149620D+01 -0.361784D+01
      3  -0.503679D+00 -0.261360D+01 -0.400358D-01 -0.361784D+01 -0.165024D+01
               106           107           108           109           110 
      1   0.543373D+01 -0.820894D+00 -0.530603D+01  0.504977D+01  0.307222D+01
      2  -0.820894D+00 -0.256710D+01 -0.855816D+00  0.307222D+01  0.796023D+00
      3  -0.530603D+01 -0.855816D+00  0.271339D+01 -0.151300D+01 -0.466451D+00
               111           112           113           114           115 
      1  -0.151300D+01  0.293775D+00  0.108816D+01 -0.951213D+00 -0.611285D+01
      2  -0.466451D+00  0.108816D+01  0.269138D+00 -0.976762D+00 -0.984477D+00
      3  -0.133436D+01 -0.951213D+00 -0.976762D+00 -0.851178D+00 -0.345212D+01
               116           117           118           119           120 
      1  -0.984477D+00 -0.345212D+01 -0.622770D+00  0.211932D+01 -0.744920D+00
      2  -0.163309D+01 -0.845980D-01  0.211932D+01 -0.186176D+01  0.647111D-01
      3  -0.845980D-01 -0.222507D+00 -0.744920D+00  0.647111D-01 -0.114735D+01
               121           122           123           124           125 
      1   0.410976D+01 -0.232814D+01  0.231962D+00 -0.125142D+01  0.175099D+00
      2  -0.232814D+01  0.601827D+01 -0.107498D+01  0.175099D+00 -0.132581D+01
      3   0.231962D+00 -0.107498D+01  0.137783D+01 -0.148409D+01  0.109310D+01
               126           127           128           129           130 
      1  -0.148409D+01 -0.166281D+00 -0.710859D+00  0.333027D+00 -0.195301D+01
      2   0.109310D+01 -0.710859D+00  0.771437D+00 -0.287024D+00  0.130784D+00
      3  -0.495147D+00  0.333027D+00 -0.287024D+00  0.114744D+01  0.509613D+00
               131           132           133           134           135 
      1   0.130784D+00  0.509613D+00  0.434079D+00  0.747977D-01  0.174296D+00
      2  -0.412560D+01  0.223757D+01  0.747977D-01  0.159978D+01 -0.127154D+01
      3   0.223757D+01 -0.258888D+01  0.174296D+00 -0.127154D+01  0.180768D+01
               136           137           138           139           140 
      1  -0.149610D+02  0.772586D+00  0.357400D+01  0.487399D+00 -0.120852D+01
      2   0.772586D+00 -0.839781D+00 -0.265078D+00 -0.120852D+01  0.579453D-01
      3   0.357400D+01 -0.265078D+00 -0.235796D+01 -0.244993D+00  0.709112D+00
               141           142           143           144           145 
      1  -0.244993D+00  0.141075D+01  0.591125D-01 -0.133332D+01 -0.574378D-01
      2   0.709112D+00  0.591125D-01  0.142953D+00  0.127411D+00  0.871630D+00
      3   0.201231D+00 -0.133332D+01  0.127411D+00  0.370296D+00  0.802875D+00
               146           147           148           149           150 
      1   0.871630D+00  0.802875D+00  0.145591D+01  0.250772D+00 -0.218869D+00
      2   0.103605D+01  0.789223D+00  0.250772D+00  0.314470D+01  0.288665D+01
      3   0.789223D+00  0.194668D+01 -0.218869D+00  0.288665D+01  0.358136D+01
               151           152           153           154           155 
      1   0.290528D+00  0.597426D-01  0.312044D+00 -0.164644D+02 -0.440296D+01
      2   0.597426D-01  0.216851D+01  0.245221D+01 -0.440296D+01 -0.233376D+01
      3   0.312044D+00  0.245221D+01  0.462871D+01  0.581219D+00 -0.179525D+00
               156           157           158           159           160 
      1   0.581219D+00 -0.678269D+01 -0.520375D+01  0.359333D+00  0.669152D+00
      2  -0.179525D+00 -0.520375D+01 -0.384677D+01  0.349160D+00  0.334255D+00
      3  -0.222677D+01  0.359333D+00  0.349160D+00 -0.102255D+01 -0.239651D+01
               161           162           163           164           165 
      1   0.334255D+00 -0.239651D+01 -0.920257D+01 -0.240015D+01 -0.280040D+01
      2   0.947746D+00 -0.110968D+01 -0.240015D+01 -0.236572D+00  0.558664D-01
      3  -0.110968D+01  0.135648D+01 -0.280040D+01  0.558664D-01 -0.782604D+00
               166           167           168           169           170 
      1  -0.508561D+01 -0.628792D+00 -0.784564D+00 -0.884962D-01  0.650474D-01
      2  -0.628792D+00 -0.745688D+00 -0.167362D+01  0.650474D-01 -0.357173D+00
      3  -0.784564D+00 -0.167362D+01 -0.166340D+01 -0.687189D+00 -0.111502D+01
               171           172           173           174           175 
      1  -0.687189D+00  0.869118D+01  0.201605D+01  0.988429D+00  0.570621D+01
      2  -0.111502D+01  0.201605D+01  0.595273D+00  0.277667D+00  0.784164D+00
      3  -0.686323D+01  0.988429D+00  0.277667D+00  0.221299D+01  0.951177D+00
               176           177           178           179           180 
      1   0.784164D+00  0.951177D+00  0.339744D+01  0.459500D+00  0.161633D+01
      2   0.331200D+00 -0.486595D+00  0.459500D+00 -0.935317D+00  0.512041D+00
      3  -0.486595D+00  0.120957D+01  0.161633D+01  0.512041D+00 -0.100962D+01
               181           182           183           184           185 
      1   0.114023D+02 -0.514132D+00 -0.188984D+00 -0.721688D+01  0.220203D+01
      2  -0.514132D+00  0.106113D+02 -0.178679D+01  0.220203D+01  0.372400D+01
      3  -0.188984D+00 -0.178679D+01  0.282451D+01  0.704533D+00 -0.184893D+01
               186           187           188           189           190 
      1   0.704533D+00  0.110411D+01  0.258585D+00  0.434166D+01  0.355117D+02
      2  -0.184893D+01  0.258585D+00 -0.286028D+01 -0.306637D+01 -0.613117D+01
      3  -0.153244D+01  0.434166D+01 -0.306637D+01  0.738681D+00 -0.353508D+00
               191           192           193           194           195 
      1  -0.613117D+01 -0.353508D+00 -0.208731D+02  0.201956D+01  0.209030D+01
      2   0.562597D+01  0.239554D-01  0.201956D+01 -0.144060D+02  0.205088D+01
      3   0.239554D-01  0.419013D+01  0.209030D+01  0.205088D+01 -0.162849D+01
               196           197           198           199           200 
      1   0.231139D+01  0.110090D+01  0.612607D+01 -0.364230D+02  0.846136D+01
      2   0.110090D+01  0.162871D+01 -0.208557D+01  0.846136D+01 -0.859617D+01
      3   0.612607D+01 -0.208557D+01 -0.106392D+00  0.803891D+00  0.132975D+01
               201           202           203           204           205 
      1   0.803891D+00  0.240101D+02 -0.337211D+01 -0.623369D+00 -0.180382D+01
      2   0.132975D+01 -0.337211D+01  0.712351D+01  0.610701D-01  0.377238D+00
      3  -0.216824D+00 -0.623369D+00  0.610701D-01  0.283158D+01  0.383166D+00
               206           207           208           209           210 
      1   0.377238D+00  0.383166D+00 -0.902818D+01  0.293248D+00  0.391027D+00
      2   0.661415D+00  0.326658D+01  0.293248D+00 -0.228183D+01  0.241100D+00
      3   0.326658D+01 -0.194784D+01  0.391027D+00  0.241100D+00 -0.799622D+00
               211           212           213           214           215 
      1  -0.339711D+00  0.148364D+01 -0.101819D+00  0.667938D+00 -0.255669D+00
      2   0.148364D+01 -0.206610D+01  0.427934D+00 -0.255669D+00  0.390878D+00
      3  -0.101819D+00  0.427934D+00  0.115349D+01  0.233111D+00 -0.479220D+00
               216           217           218           219           220 
      1   0.233111D+00 -0.282874D+01  0.231494D+01 -0.267394D+00  0.401051D+01
      2  -0.479220D+00  0.231494D+01  0.208878D+01 -0.619924D+00 -0.108700D+01
      3  -0.120476D+00 -0.267394D+00 -0.619924D+00  0.142298D+01 -0.743634D+00
               221           222           223           224           225 
      1  -0.108700D+01 -0.743634D+00 -0.750365D+00 -0.529599D+00 -0.111137D+01
      2   0.811897D-01 -0.184928D+01 -0.529599D+00 -0.168616D+01 -0.353916D+01
      3  -0.184928D+01 -0.562354D+01 -0.111137D+01 -0.353916D+01  0.257243D+01
               226           227           228           229           230 
      1  -0.149585D+01 -0.182638D+01  0.431883D+00 -0.653818D+00 -0.200659D+01
      2  -0.182638D+01 -0.327479D+01  0.650738D+00 -0.200659D+01 -0.853578D+01
      3   0.431883D+00  0.650738D+00 -0.462187D+00  0.413309D+00  0.152412D+01
               231           232           233           234           235 
      1   0.413309D+00  0.272434D+00  0.552453D+00  0.114168D+00  0.483435D+01
      2   0.152412D+01  0.552453D+00  0.174948D+01 -0.550411D+00 -0.382867D+01
      3  -0.111668D+01  0.114168D+00 -0.550411D+00  0.311337D+00  0.362032D+00
               236           237           238           239           240 
      1  -0.382867D+01  0.362032D+00 -0.425569D+01  0.524165D+01 -0.812211D+00
      2   0.402229D+01 -0.377145D+00  0.524165D+01 -0.805044D+01  0.967544D+00
      3  -0.377145D+00  0.561768D+00 -0.812211D+00  0.967544D+00 -0.933918D+00
               241           242           243           244           245 
      1   0.455759D+00 -0.837494D+00 -0.228195D+00  0.286900D+01  0.261231D+01
      2  -0.837494D+00  0.122823D+01 -0.344244D+00  0.261231D+01  0.142327D+01
      3  -0.228195D+00 -0.344244D+00  0.263445D+00 -0.640965D+00 -0.387560D+00
               246           247           248           249           250 
      1  -0.640965D+00  0.397597D+01  0.306807D+01 -0.767934D+00 -0.929346D+00
      2  -0.387560D+00  0.306807D+01  0.517438D+01 -0.106364D+01 -0.745242D+00
      3   0.330529D+00 -0.767934D+00 -0.106364D+01  0.795877D+00  0.279556D+00
               251           252           253           254           255 
      1  -0.745242D+00  0.279556D+00 -0.708537D+00 -0.333072D+00 -0.639029D+00
      2  -0.114409D+01  0.129424D+00 -0.333072D+00 -0.182213D+00  0.814400D-01
      3   0.129424D+00 -0.139285D+00 -0.639029D+00  0.814400D-01 -0.107109D+01
               256           257           258           259           260 
      1   0.446132D+00  0.120340D+01 -0.796710D+00 -0.321913D+01 -0.113628D+01
      2   0.120340D+01  0.146201D+01 -0.149254D+01 -0.113628D+01 -0.137130D+01
      3  -0.796710D+00 -0.149254D+01  0.244988D+01  0.242333D+01  0.215777D+01
               261           262           263           264           265 
      1   0.242333D+01  0.156066D+02 -0.110761D+01 -0.685719D+00 -0.364346D+01
      2   0.215777D+01 -0.110761D+01  0.998000D+00  0.113314D+00  0.148878D+01
      3  -0.652159D+01 -0.685719D+00  0.113314D+00  0.113677D+01  0.261421D+00
               266           267           268           269           270 
      1   0.148878D+01  0.261421D+00 -0.211134D+00  0.108751D+00  0.158943D+01
      2  -0.816593D+00  0.685900D-01  0.108751D+00  0.149767D+00  0.142456D+00
      3   0.685900D-01 -0.138807D+00  0.158943D+01  0.142456D+00 -0.342308D+00
               271           272           273           274           275 
      1   0.945740D-01  0.211616D+00  0.950470D+00  0.197856D+01  0.237499D+01
      2   0.211616D+00  0.711192D-01  0.205025D-01  0.237499D+01  0.355171D+01
      3   0.950470D+00  0.205025D-01 -0.581010D+00  0.114077D+01  0.226717D+01
               276           277           278           279 
      1   0.114077D+01  0.344446D+01  0.165413D+01  0.165075D+01
      2   0.226717D+01  0.165413D+01  0.230439D+01  0.241762D+01
      3   0.262755D+01  0.165075D+01  0.241762D+01  0.338880D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314393D+01  0.159855D+01 -0.148777D+01  0.343210D+01 -0.184397D+01
      2   0.703502D+01  0.279537D+01 -0.118138D+01  0.777354D+01 -0.460700D+01
      3   0.838961D+01  0.194136D+02 -0.424075D+01  0.245918D+02 -0.209213D+02
                 6             7             8             9            10 
      1   0.512841D+00 -0.521429D+01  0.826489D+01 -0.126614D+01 -0.593181D+00
      2   0.270988D+01 -0.195023D+02  0.368331D+01  0.132252D+00 -0.422542D+01
      3   0.242378D+01 -0.566176D+00  0.120665D+01  0.747711D+00  0.285458D+02
                11            12            13            14            15 
      1   0.293452D+01 -0.137533D+01 -0.118132D+01  0.109658D+01  0.147992D+01
      2   0.383726D+01 -0.645117D+01 -0.563244D+00 -0.360029D+01  0.235066D+00
      3   0.173432D+02 -0.355974D+01  0.478255D+02 -0.314299D+02  0.302189D+01
                16            17            18            19            20 
      1  -0.593444D+01  0.849449D+01 -0.161826D+01 -0.360633D+01 -0.268343D+00
      2  -0.184979D+02  0.375939D+01  0.105924D+01 -0.794345D+01 -0.236154D+01
      3  -0.771755D+01  0.349619D+01 -0.252102D+00 -0.459599D+01 -0.210843D+02
                21            22            23            24            25 
      1   0.970433D+00  0.359614D-01 -0.153841D+00 -0.162114D+01 -0.660173D+01
      2   0.104992D+01  0.116671D+01  0.148974D+01  0.842642D+00 -0.170623D+02
      3   0.422851D+01 -0.220049D+01  0.502313D+01 -0.159186D+01  0.527414D+01
                26            27            28            29            30 
      1   0.414213D+01 -0.929653D+00  0.309060D+00  0.119654D+01  0.261787D+00
      2   0.732698D+01 -0.895100D+00  0.410416D+01  0.113852D+01  0.104708D+01
      3  -0.180209D+01 -0.920237D+00 -0.194325D+02  0.905736D+01 -0.915840D+00
                31            32            33            34            35 
      1   0.434061D+01  0.365256D+01  0.131364D+01  0.303690D+01  0.114627D+02
      2  -0.116966D+00  0.604298D+00  0.581093D+00 -0.123578D+02  0.856447D+00
      3   0.264576D+02 -0.138912D+01 -0.209855D+01 -0.148918D+01 -0.246286D+01
                36            37            38            39            40 
      1  -0.206094D+01  0.792978D+00 -0.204583D-01  0.696732D+01  0.156061D+01
      2   0.917624D+00 -0.205130D+01 -0.911397D+00  0.883584D+00 -0.209293D+01
      3  -0.207141D+01 -0.949833D+01 -0.257872D+01  0.113348D+00  0.113858D+02
                41            42            43            44            45 
      1  -0.951404D+00 -0.296389D+01  0.152496D+02  0.156823D+01 -0.591151D+00
      2  -0.269771D+01 -0.176829D+01 -0.104620D+02 -0.590813D+01  0.240085D+01
      3  -0.542971D+01  0.133994D+00 -0.279830D+01  0.110362D+01 -0.488522D+01
                46            47            48            49            50 
      1  -0.106506D+01 -0.204703D+01 -0.639327D+01 -0.210400D+01  0.316548D+00
      2   0.197629D+01 -0.311526D+01  0.186337D+01 -0.409947D+01  0.453345D+01
      3   0.214711D+02 -0.226139D+02  0.339956D+01 -0.505843D+01  0.212517D+02
                51            52            53            54            55 
      1  -0.299480D+01 -0.101344D+02 -0.159109D+01  0.319243D+01  0.145416D+01
      2  -0.904709D+00 -0.145766D+02  0.159176D+01  0.115443D+01  0.570833D+01
      3  -0.245087D+01  0.349388D+01 -0.179636D+01  0.468271D+01  0.302032D+02
                56            57            58            59            60 
      1  -0.388712D+01 -0.677548D+01 -0.241312D+01  0.113985D+01 -0.252924D+01
      2  -0.346959D+01 -0.476730D+01 -0.533466D+01  0.305749D+01 -0.223685D+01
      3  -0.971454D+01  0.189530D+01 -0.493907D+01  0.205807D+02 -0.724616D+00
                61            62            63            64            65 
      1  -0.109057D+02 -0.785254D+00  0.219667D+01 -0.629092D+00 -0.500249D+00
      2  -0.192636D+02 -0.206886D+01  0.519960D+01  0.116452D+01  0.853075D+00
      3   0.389464D+01 -0.191251D+00  0.113422D+02  0.144228D+01 -0.421341D-01
                66            67            68            69            70 
      1  -0.166683D+01 -0.595701D+00 -0.140644D+01 -0.288286D+01 -0.838638D+00
      2   0.706889D+00  0.115698D+01 -0.497679D-01  0.185385D+01 -0.254043D+01
      3   0.200116D+00  0.387019D+01 -0.529254D+01  0.726729D+00  0.627181D-01
                71            72            73            74            75 
      1   0.227450D+01  0.133821D+00 -0.359262D+00  0.302360D+00  0.219682D+01
      2  -0.772724D+00  0.919018D-01 -0.821520D+00 -0.176837D-01  0.134633D+01
      3   0.790449D+00  0.406624D+00 -0.827255D+01  0.163622D+01 -0.176646D-01
                76            77            78            79            80 
      1  -0.117447D+01  0.863110D+00 -0.406372D+01 -0.290856D+01  0.171071D+01
      2  -0.435750D+00  0.656431D+00 -0.234954D+01 -0.199639D+01 -0.123802D-01
      3   0.393104D+01  0.132692D+01  0.393512D+00  0.463373D+00 -0.385364D+00
                81            82            83            84            85 
      1   0.560972D+00  0.764892D+00  0.542182D+00 -0.209121D+01  0.777994D+00
      2   0.428500D+00  0.100920D+01  0.477502D+00  0.999405D+00  0.711079D+00
      3   0.997560D+00  0.721377D+01  0.329233D+01 -0.117330D+01  0.546982D+01
                86            87            88            89            90 
      1   0.145077D+01 -0.461941D+01  0.107231D+01  0.216035D+01  0.373922D+00
      2   0.600025D+00  0.143003D+01 -0.113699D+01  0.521143D+00 -0.560239D+00
      3   0.348657D+01 -0.117214D+01 -0.129549D+01 -0.141219D+01 -0.487119D+00
                91            92            93            94            95 
      1   0.290912D+01  0.112483D+01 -0.192144D+01  0.510786D+01 -0.654476D+00
      2  -0.615281D+01 -0.202307D+01 -0.731610D+01 -0.257459D+01 -0.931219D+01
      3   0.104851D+02  0.642061D+00  0.251460D+01  0.206517D+02 -0.179477D+02
                96            97            98            99           100 
      1  -0.218194D+01 -0.265476D+01  0.536488D+01  0.138917D+01  0.119835D+01
      2  -0.334897D+01 -0.331253D+02 -0.691073D+00  0.401067D+01 -0.127932D+02
      3   0.848154D+01  0.680601D-01  0.111963D+02  0.844348D+01  0.460836D+00
               101           102           103           104           105 
      1  -0.631480D+01  0.658358D+00 -0.280514D+01  0.451747D+01 -0.116960D+02
      2   0.219121D+01  0.182037D+02 -0.349411D+00  0.192638D+02  0.675532D+01
      3  -0.139781D+02 -0.109141D+01 -0.857230D+01  0.833825D+01 -0.159958D+02
               106           107           108           109           110 
      1   0.326245D+01 -0.588488D+01 -0.544871D+01 -0.310240D+01  0.141626D+01
      2   0.166427D+02  0.351213D+01 -0.395142D+01  0.129154D+02  0.547405D+01
      3   0.542296D+01 -0.151002D+02 -0.816449D+01 -0.688931D+01  0.767038D+01
               111           112           113           114           115 
      1   0.973531D+01 -0.940610D+01 -0.725715D+01 -0.862077D+01  0.862837D+01
      2   0.443049D+01  0.658564D+01  0.418467D+01 -0.699680D+01  0.637051D+01
      3  -0.778862D+01  0.840510D+01  0.150302D+02 -0.263505D+01 -0.119713D+02
               116           117           118           119           120 
      1  -0.637682D-01  0.588198D+01  0.126587D+01 -0.111624D+01  0.107949D+01
      2  -0.208144D+01  0.381326D+01  0.302626D+01 -0.115385D+01  0.498433D+01
      3  -0.652288D+01 -0.422681D+01  0.887736D+01 -0.630631D+01 -0.112772D+00
               121           122           123           124           125 
      1  -0.133671D+01  0.251403D+01 -0.319430D+01  0.858860D+00 -0.446524D+00
      2  -0.163910D+01  0.514212D+01 -0.515758D+01  0.305344D+01 -0.362961D+01
      3  -0.135497D+01  0.212003D+02 -0.414450D+01 -0.906434D+00 -0.515488D+01
               126           127           128           129           130 
      1   0.756018D+00 -0.250773D+01  0.275257D+01 -0.787370D+00  0.114432D+01
      2   0.209973D+01 -0.276218D+01  0.311740D+01 -0.448024D+01  0.299170D+01
      3   0.257274D+01 -0.472398D+01  0.389922D+01 -0.148560D+01  0.364703D+01
               131           132           133           134           135 
      1  -0.112935D+02  0.351265D+01 -0.348278D+00  0.513451D+01 -0.285500D+01
      2  -0.102511D+02  0.906654D+01 -0.247033D+01  0.485441D+01 -0.704709D+01
      3  -0.175586D+02  0.936865D+01 -0.456659D-01  0.616230D+01 -0.502349D+01
               136           137           138           139           140 
      1  -0.137024D+01 -0.251403D+01  0.825969D+00 -0.235274D+01 -0.776748D+00
      2   0.116305D+02 -0.134234D+00  0.719421D+01  0.287473D+00 -0.939823D+00
      3  -0.441880D+01 -0.599078D+01  0.736119D+00 -0.365872D+01 -0.749370D+00
               141           142           143           144           145 
      1   0.448359D+00 -0.335122D-01  0.143232D+01  0.122860D+00  0.187664D+01
      2  -0.352240D+00  0.162853D+01  0.147435D+00  0.858865D+00 -0.513218D+01
      3   0.261351D+01 -0.561608D+00  0.272534D+01 -0.316397D+00  0.387758D+01
               146           147           148           149           150 
      1   0.321263D+01  0.197345D+00  0.186837D+01  0.621059D+01  0.265368D+01
      2  -0.468556D+01 -0.829464D+01 -0.318778D+01 -0.123212D+02 -0.133524D+02
      3   0.456038D+01  0.306250D+01  0.404210D+01  0.115817D+02  0.104689D+02
               151           152           153           154           155 
      1  -0.206241D+00  0.519141D+01  0.253591D+01  0.354180D+01  0.619991D+00
      2  -0.444765D+01 -0.987900D+01 -0.178055D+02 -0.115049D+02 -0.202994D+01
      3   0.171279D+00  0.792163D+01  0.925968D+01 -0.839091D+01 -0.197368D+02
               156           157           158           159           160 
      1  -0.578235D+01  0.664352D+01  0.444112D+01 -0.325042D+01 -0.347234D+01
      2   0.184371D+02 -0.139067D+01 -0.431334D+01  0.102556D+02  0.658471D+01
      3   0.319833D+00 -0.169949D+02 -0.221770D+02  0.531393D+00  0.276283D+01
               161           162           163           164           165 
      1   0.155663D+01  0.138192D+01  0.420899D+01  0.198191D+01 -0.286451D+01
      2   0.394548D+01 -0.849095D+01 -0.970870D+01 -0.459951D+01  0.156436D+01
      3   0.353048D+01 -0.304526D+01 -0.642982D+01 -0.379928D+01  0.147764D+01
               166           167           168           169           170 
      1   0.674528D+01  0.419623D+01  0.238512D+01 -0.394865D+00  0.705739D+01
      2  -0.822253D+01  0.515724D+01  0.703154D+01 -0.399790D+01  0.326267D+01
      3   0.169197D+00 -0.432625D+01 -0.856090D+01  0.323055D+01 -0.196512D+01
               171           172           173           174           175 
      1  -0.294961D+01 -0.651815D+01 -0.278482D+01  0.431910D+00 -0.769011D+01
      2   0.226733D+02  0.195221D+02  0.362012D+01 -0.577618D+01  0.792131D+01
      3  -0.380251D+01  0.211847D+01  0.226763D+01  0.150961D+01  0.738023D+01
               176           177           178           179           180 
      1  -0.247285D+01 -0.178764D+01  0.223565D-01 -0.198659D-01 -0.549293D+00
      2   0.335051D+01 -0.358952D+01 -0.244968D+01 -0.936459D+00  0.446337D+01
      3   0.104687D+01  0.274667D+00  0.135030D+01  0.651666D+00  0.753946D+00
               181           182           183           184           185 
      1  -0.188476D+00  0.219904D+01  0.696159D+01  0.266818D+01 -0.915934D+00
      2  -0.627792D+01 -0.252851D+01  0.779056D+01 -0.838648D+00 -0.757266D+01
      3  -0.274819D+02 -0.162412D+02  0.279676D+01 -0.783967D+01 -0.243307D+02
               186           187           188           189           190 
      1  -0.302637D+01  0.144273D+02  0.301652D+01 -0.227565D+01 -0.134019D+01
      2  -0.282775D+01 -0.236377D+01 -0.953621D+01  0.120534D+01 -0.455929D+01
      3   0.578607D+01  0.275352D+01  0.725329D+01 -0.176656D+01  0.779086D+01
               191           192           193           194           195 
      1   0.313910D+01 -0.583619D+00  0.273016D+01  0.216688D+01  0.454389D+01
      2   0.466455D+01  0.283286D+01  0.111837D+02  0.227408D+01 -0.388937D+01
      3   0.184075D+02 -0.422517D+01  0.404853D+02  0.208922D+02 -0.581907D+01
               196           197           198           199           200 
      1  -0.319582D+01  0.131694D+02 -0.332276D+01 -0.572543D-01 -0.193962D+01
      2   0.709660D-01 -0.548615D+01  0.118519D+01  0.116930D+01 -0.149699D+01
      3  -0.878193D+01 -0.396023D+01  0.552788D+01 -0.230848D+02 -0.933595D+01
               201           202           203           204           205 
      1   0.778372D+00 -0.173992D+01  0.102883D+01 -0.421039D+01 -0.347772D+01
      2   0.351624D+01 -0.667877D+01  0.410341D+01  0.650770D+01 -0.165548D+02
      3   0.234693D+01  0.977346D+00 -0.206931D+01 -0.203279D+01  0.509918D+01
               206           207           208           209           210 
      1   0.393289D+01  0.538968D+00  0.128162D+01 -0.278510D+01  0.720458D+00
      2   0.136921D+02 -0.484870D+01  0.384512D+01 -0.484691D+01  0.109660D+02
      3  -0.350653D+01 -0.639612D+01  0.991717D+01 -0.360191D+02  0.406921D+01
               211           212           213           214           215 
      1   0.483522D+00 -0.888713D+00 -0.627402D+01  0.259142D+01 -0.804892D+00
      2  -0.162554D+00  0.283809D+01  0.751579D+01 -0.604193D+01 -0.300831D+01
      3   0.151022D+01  0.120048D+02 -0.319644D+01  0.419294D+00  0.104243D+01
               216           217           218           219           220 
      1   0.111291D+01 -0.126366D+01  0.393521D+00 -0.116989D+01  0.233715D+01
      2  -0.115976D+01 -0.584193D+01 -0.147345D+01  0.791705D+01 -0.375408D+01
      3   0.118289D+01 -0.323370D+02 -0.315017D+01  0.374827D+01  0.673574D+01
               221           222           223           224           225 
      1   0.353592D+01  0.583306D+01  0.946570D+01  0.658670D+01 -0.151561D+01
      2  -0.797700D+01 -0.345671D+02 -0.721945D+01 -0.215033D+02  0.163443D+02
      3   0.175155D+02  0.849978D+01  0.422397D+01  0.659685D+01  0.274203D+02
               226           227           228           229           230 
      1   0.230667D+00 -0.294700D+00 -0.199985D+01  0.116991D+00 -0.684150D+00
      2   0.205237D+01  0.185698D+01 -0.256451D-01  0.141877D+01  0.358323D+01
      3   0.956719D+01  0.802799D+01 -0.205392D+01  0.708878D+01  0.177797D+02
               231           232           233           234           235 
      1  -0.419970D+01  0.136803D+01  0.218182D+01  0.315748D+00 -0.885372D+00
      2  -0.592299D+00 -0.623563D+00 -0.113257D+01  0.380572D-01 -0.104636D+01
      3  -0.361751D+01 -0.207686D+01 -0.399903D+01  0.360103D+00 -0.232652D+00
               236           237           238           239           240 
      1   0.955211D+00  0.219352D+01 -0.279518D+00 -0.767155D+00 -0.373353D+01
      2   0.137437D+00  0.253715D+01 -0.114507D+01  0.124406D+01 -0.377992D+01
      3  -0.575513D+01  0.533015D+00 -0.580208D+01  0.158683D+02 -0.138544D+01
               241           242           243           244           245 
      1  -0.297252D+01  0.155936D+01  0.544761D+00  0.200465D+00 -0.398885D-01
      2  -0.263556D+01 -0.102574D+01  0.117755D+01 -0.851502D+00 -0.821141D+00
      3   0.216483D+01 -0.244441D+01  0.160289D+01 -0.143875D+01 -0.265622D+01
               246           247           248           249           250 
      1  -0.109528D+01  0.233778D+00 -0.198449D+00 -0.278570D+01 -0.624238D+00
      2   0.116784D+01 -0.951658D+00 -0.289559D+01  0.284882D+01 -0.145533D+01
      3   0.502633D+00 -0.503772D+00 -0.135542D+02  0.243622D+01  0.583169D+00
               251           252           253           254           255 
      1   0.167534D+01  0.334262D+00 -0.152626D+00  0.625700D+00  0.144748D+01
      2  -0.863039D+00 -0.737885D-01 -0.626350D+01  0.723222D+00 -0.576482D+01
      3   0.312719D+01  0.254394D+00  0.159077D+00  0.269184D+01 -0.246364D+01
               256           257           258           259           260 
      1  -0.231548D+00 -0.318681D+00 -0.209020D+01 -0.179494D+01  0.147448D+01
      2  -0.332481D+01 -0.812342D+01  0.140668D+02  0.763038D+01  0.125340D+02
      3  -0.409852D+01 -0.121670D+02  0.994648D+01  0.406755D+01  0.103069D+02
               261           262           263           264           265 
      1   0.524373D+01  0.686198D+00 -0.578975D+00 -0.407962D+00 -0.580784D+00
      2  -0.361017D+02  0.118034D+01  0.816911D-01  0.887829D+01  0.401535D+00
      3  -0.169201D+02  0.151431D+02 -0.100731D+02 -0.910830D+00 -0.866590D+01
               266           267           268           269           270 
      1   0.156736D+00 -0.789825D+00 -0.113657D+01  0.145495D+00  0.171418D+00
      2   0.919488D+00 -0.107314D+01  0.754837D+01  0.848222D+00 -0.166303D+01
      3   0.600861D+01 -0.549083D+00 -0.873959D+00 -0.829228D+00 -0.892431D+00
               271           272           273           274           275 
      1  -0.225709D+00  0.964527D-01  0.975977D+00 -0.137569D+01 -0.265798D+01
      2   0.663767D+01  0.654515D+00 -0.260703D+01  0.526427D+01  0.116590D+02
      3  -0.291168D+01  0.152952D+01  0.639348D+00 -0.940663D+01 -0.251127D+02
               276           277           278           279 
      1  -0.481959D+01 -0.265713D+01 -0.132446D+01 -0.545872D+01
      2   0.150858D+02  0.572308D+01  0.135194D+02  0.183022D+02
      3  -0.140914D+02 -0.642181D+01 -0.155787D+02 -0.163850D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.747063D+02  0.441516D+02 -0.481851D+01 -0.741616D+02  0.276159D+01
      2   0.378778D+02 -0.305046D+02  0.423477D+01  0.386573D+02  0.710066D+01
      3   0.368285D+02 -0.136470D+02  0.583736D+00  0.355043D+02 -0.986225D+01
      4   0.245711D+02  0.108760D+02 -0.352639D+01  0.103033D+02 -0.212133D+02
      5  -0.819133D+01 -0.424024D+01 -0.391720D+00 -0.546399D+01  0.730951D+01
      6   0.246675D+01  0.218385D+01  0.292108D+01  0.410272D+01 -0.559197D+01
                 6             7             8             9            10 
      1   0.260628D+01  0.181655D+02 -0.507421D+01 -0.986374D+01  0.113565D+03
      2  -0.440304D+01 -0.840793D+01  0.205247D+01 -0.787437D+00 -0.540339D+02
      3   0.179676D+01 -0.975752D+01  0.302174D+01  0.106512D+02 -0.595311D+02
      4   0.410165D+01 -0.328278D+01  0.310447D+01 -0.708985D+00  0.134883D+02
      5   0.367597D+01  0.201231D+01 -0.137689D+01  0.320626D+00  0.172301D+00
      6  -0.233956D+00  0.162533D+01  0.437990D+01  0.936117D+00 -0.714585D+01
                11            12            13            14            15 
      1   0.164542D+01 -0.866052D+01  0.592407D+02 -0.360701D+02  0.194655D+01
      2  -0.519283D+01  0.482233D+01 -0.219776D+02  0.262713D+02 -0.492698D+01
      3   0.354740D+01  0.383819D+01 -0.372631D+02  0.979882D+01  0.298043D+01
      4   0.140549D+02 -0.542619D+01 -0.314963D+02  0.167611D+02 -0.747641D+00
      5  -0.790100D+01 -0.110956D+02  0.943922D+01 -0.225865D+01 -0.574399D+00
      6   0.433718D+01  0.191126D+01 -0.400181D+01 -0.119431D+01 -0.278654D+01
                16            17            18            19            20 
      1  -0.187090D+02  0.578797D+01 -0.497840D+01  0.393644D+02 -0.494600D+02
      2   0.851399D+01 -0.387427D+01 -0.235875D+01 -0.200808D+02  0.365943D+02
      3   0.101950D+02 -0.191371D+01  0.733715D+01 -0.192837D+02  0.128657D+02
      4   0.605774D+01 -0.252755D+01  0.494606D+01 -0.271994D+02 -0.128763D+02
      5   0.845732D+00  0.399698D+01  0.103732D+01  0.109610D+02  0.453762D+01
      6   0.514405D+01  0.417368D+01  0.161567D+01 -0.212112D+01 -0.106348D+01
                21            22            23            24            25 
      1   0.638247D+01  0.782620D+01  0.323362D+02 -0.520290D+01 -0.408491D+01
      2  -0.528836D+01 -0.195283D+02 -0.319931D+02  0.690009D+01  0.652881D+01
      3  -0.109411D+01  0.117021D+02 -0.343115D+00 -0.169720D+01 -0.244390D+01
      4   0.363492D+01  0.146395D+02 -0.277718D+01  0.249790D+01 -0.612754D+00
      5  -0.235674D+01 -0.729399D+01  0.308263D+01  0.617856D+01  0.469457D+01
      6   0.953699D-01  0.857885D+01  0.557449D+01  0.226318D+01  0.245514D+01
                26            27            28            29            30 
      1  -0.137010D+01 -0.669306D+01  0.626703D+01 -0.897557D+00  0.220153D+01
      2   0.523383D+01 -0.714381D+01 -0.193705D+02 -0.209611D+01 -0.802065D+00
      3  -0.386372D+01  0.138369D+02  0.131035D+02  0.299367D+01 -0.139947D+01
      4   0.527881D+01  0.375394D+01 -0.260437D+01  0.131681D+02  0.139500D+00
      5   0.843086D+01 -0.229223D+01 -0.125534D+02  0.216239D+01  0.866252D+01
      6   0.437374D+01 -0.227757D+00  0.934577D+01 -0.120679D+01 -0.292183D+01
                31            32            33            34            35 
      1   0.137093D+02 -0.666696D+02  0.890994D+01 -0.306945D+01  0.111726D+02
      2  -0.417840D+01  0.625725D+02 -0.129038D+02 -0.277950D-01 -0.118696D+02
      3  -0.953093D+01  0.409709D+01  0.399383D+01  0.309725D+01  0.697002D+00
      4  -0.388591D+02 -0.126729D+02  0.505136D+01  0.135634D+02  0.320379D+01
      5   0.121871D+02  0.562634D+01 -0.125543D+01  0.281892D+02 -0.564488D+01
      6  -0.135169D+01 -0.628599D+01 -0.287974D+01 -0.633327D+01  0.603729D+01
                36            37            38            39            40 
      1  -0.109977D+01 -0.352885D+01  0.702895D+02 -0.129759D+02 -0.196597D+02
      2  -0.637853D+01 -0.362777D+01 -0.543078D+02  0.667768D+01  0.208738D+02
      3   0.747830D+01  0.715662D+01 -0.159817D+02  0.629823D+01 -0.121409D+01
      4  -0.561613D+00  0.231864D+02 -0.101655D+02 -0.969111D+00  0.191554D+02
      5  -0.397511D+00 -0.343240D+01 -0.418538D+01  0.330177D+01  0.285914D+01
      6   0.481097D+01 -0.340685D+01  0.339681D+01 -0.129393D+02 -0.999719D+01
                41            42            43            44            45 
      1   0.283237D+02 -0.845075D+01  0.551324D+01 -0.146611D+02 -0.131388D+02
      2  -0.317168D+02  0.779665D+01 -0.972834D+01  0.162069D+02  0.234189D+01
      3   0.339305D+01  0.654107D+00  0.421510D+01 -0.154585D+01  0.107969D+02
      4   0.166580D+02 -0.728085D+01 -0.944445D+00 -0.590268D+01 -0.658389D+01
      5  -0.857169D+01 -0.659653D+01  0.179628D+02 -0.732297D+01  0.367974D+01
      6   0.914386D+01  0.609797D+01 -0.187061D+02  0.162925D+02  0.695623D+00
                46            47            48            49            50 
      1   0.405031D+01 -0.575369D+02  0.825063D+01  0.215637D+02  0.103557D+02
      2  -0.213040D+01  0.449378D+02 -0.304301D+01 -0.204415D+02 -0.150994D+02
      3  -0.191990D+01  0.125992D+02 -0.520761D+01 -0.112221D+01  0.474368D+01
      4  -0.200355D+02 -0.976856D+01  0.455804D+01  0.140773D+02 -0.956476D+01
      5   0.509021D+01  0.664858D+01 -0.739306D-01 -0.232518D+01  0.158556D+01
      6   0.370484D+01  0.681036D+00  0.113033D+02  0.347395D+01  0.110874D+02
                51            52            53            54            55 
      1  -0.768747D+01 -0.514280D+01 -0.311558D+01 -0.216361D+02 -0.285191D+02
      2   0.888962D+01  0.658423D+01  0.984051D+01  0.843664D+01  0.123336D+02
      3  -0.120214D+01 -0.144143D+01 -0.672493D+01  0.131994D+02  0.161854D+02
      4   0.301623D+01  0.122548D+01  0.619683D+01  0.553716D+01  0.996988D+00
      5   0.108324D+01  0.526800D+01  0.234332D+01  0.293924D+00 -0.218921D+01
      6   0.582217D+01  0.517476D+01  0.209721D+02 -0.541935D+01  0.360047D+01
                56            57            58            59            60 
      1  -0.424053D+02  0.704512D+01  0.137345D+02  0.187247D+02 -0.930659D+01
      2   0.355334D+02 -0.908382D+00 -0.124260D+02 -0.199870D+02  0.932955D+01
      3   0.687188D+01 -0.613674D+01 -0.130850D+01  0.126226D+01 -0.229608D-01
      4  -0.470946D+02  0.754027D+01  0.137404D+02 -0.368335D+01 -0.107632D+01
      5   0.110818D+02 -0.118044D+02 -0.295228D+01 -0.268907D+01 -0.136625D+01
      6  -0.199042D+01  0.130805D+02  0.315843D+01  0.103443D+02  0.438291D+01
                61            62            63            64            65 
      1  -0.223196D+01 -0.606719D+01 -0.264316D+02  0.329095D+01 -0.778618D+00
      2   0.538508D+01  0.118137D+02  0.829861D+01 -0.372511D+00  0.219738D+01
      3  -0.315312D+01 -0.574647D+01  0.181330D+02 -0.291844D+01 -0.141876D+01
      4  -0.294614D+01  0.283213D+01 -0.538190D+01  0.101824D+02  0.103494D+02
      5  -0.193255D+01 -0.944223D+01  0.668869D+01 -0.210560D+01 -0.217511D+01
      6   0.641723D+01  0.178065D+02 -0.649615D+01 -0.175663D+01 -0.135766D+01
                66            67            68            69            70 
      1   0.394863D+00 -0.330280D+01 -0.139595D+02  0.305369D+01  0.807430D+00
      2  -0.406323D-01  0.558587D+01  0.169068D+02 -0.129483D+01 -0.555205D+00
      3  -0.354231D+00 -0.228307D+01 -0.294729D+01 -0.175886D+01 -0.252224D+00
      4  -0.162482D+01  0.135630D+02  0.183686D+02 -0.310484D+01 -0.264712D+01
      5   0.310942D+01 -0.366673D+01 -0.335418D+01  0.381943D+01  0.184376D+01
      6   0.162969D+01 -0.289120D+01 -0.593267D+01  0.506655D+01  0.248510D+01
                71            72            73            74            75 
      1   0.199211D+01 -0.301377D+01 -0.105952D+01  0.704415D+01 -0.825217D+00
      2  -0.175583D+01  0.241119D+01  0.103786D+02 -0.159738D+02  0.132983D+01
      3  -0.236282D+00  0.602574D+00 -0.931906D+01  0.892965D+01 -0.504616D+00
      4  -0.334936D+01  0.264292D+01 -0.218887D+02  0.220749D+02 -0.231698D+01
      5   0.119009D+01 -0.107467D+01  0.183234D+01 -0.233598D+01  0.304326D+01
      6   0.317037D+01 -0.208223D+01 -0.110815D+01  0.144801D+01 -0.310553D+01
                76            77            78            79            80 
      1   0.120761D+02 -0.286157D+02  0.357218D+01 -0.255906D+01  0.470730D+01
      2  -0.227041D+02  0.464798D+02 -0.437506D+01  0.456823D+01 -0.678228D+01
      3   0.106279D+02 -0.178641D+02  0.802881D+00 -0.200917D+01  0.207498D+01
      4   0.238314D+02 -0.328649D+02  0.370267D+01 -0.345285D+01  0.447165D+01
      5  -0.329587D+01  0.413552D+01 -0.364750D+01  0.197562D+00 -0.195493D+01
      6   0.375774D+01 -0.532252D+01  0.664729D+01  0.127670D+01  0.310065D+01
                81            82            83            84            85 
      1  -0.139088D+01 -0.566933D+01 -0.106706D+02  0.249021D+01 -0.984854D+01
      2   0.278457D+01  0.101383D+02  0.172195D+02 -0.269956D+01  0.140889D+02
      3  -0.139369D+01 -0.446894D+01 -0.654891D+01  0.209348D+00 -0.424035D+01
      4  -0.264231D+01  0.119454D+02  0.190846D+02 -0.337919D+01  0.126991D+02
      5   0.985350D+00 -0.136718D+01 -0.191239D+01  0.279833D+01 -0.137393D+01
      6  -0.192321D+01 -0.261098D+01 -0.394129D+01  0.355247D+01 -0.305041D+01
                86            87            88            89            90 
      1  -0.396563D+02  0.772735D+01  0.249186D+01  0.839071D+01 -0.202952D+01
      2   0.564132D+02 -0.856353D+01 -0.340820D+01 -0.107439D+02  0.276904D+01
      3  -0.167570D+02  0.836174D+00  0.916338D+00  0.235322D+01 -0.739515D+00
      4   0.263835D+02 -0.442549D+01 -0.319399D+01 -0.519882D+01  0.325217D+01
      5  -0.192965D+01  0.210159D+01  0.107625D+01  0.265778D+01 -0.140646D+01
      6  -0.107456D+02  0.865880D+01  0.809727D+00  0.443434D+01 -0.275740D+01
                91            92            93            94            95 
      1  -0.158059D+01  0.210561D+01 -0.134935D+02 -0.472817D+01 -0.425731D+01
      2   0.750970D+01  0.225434D+01  0.859382D+00  0.110983D+02 -0.961984D+01
      3  -0.592911D+01 -0.435995D+01  0.126342D+02 -0.637015D+01  0.138771D+02
      4  -0.365245D+01 -0.156131D+02 -0.373823D+01 -0.178127D+02  0.362583D+02
      5  -0.163207D+01 -0.486428D+01 -0.225703D+02  0.183245D+01 -0.148409D+02
      6  -0.342759D+01  0.149174D+01  0.104139D+01 -0.327315D+01  0.310190D+01
                96            97            98            99           100 
      1  -0.246383D+01  0.587549D+00 -0.441247D+01 -0.208337D+02 -0.764552D+02
      2   0.180385D+01 -0.136242D+02  0.893908D+01  0.204857D+02  0.422336D+02
      3   0.659981D+00  0.130366D+02 -0.452661D+01  0.348066D+00  0.342216D+02
      4  -0.169815D+02 -0.567831D+01 -0.176219D+02 -0.482511D+01  0.120866D+02
      5  -0.699210D+01 -0.591054D+02  0.927913D-01  0.168293D+02  0.385964D+02
      6   0.365303D+01  0.287814D+01 -0.449263D+00 -0.139454D+01 -0.394090D+01
               101           102           103           104           105 
      1   0.771742D+01  0.284997D+02  0.454174D+01  0.312950D+02  0.873758D+01
      2  -0.344150D+01 -0.677147D+01 -0.565035D+01 -0.550760D+01  0.636135D+00
      3  -0.427592D+01 -0.217282D+02  0.110861D+01 -0.257874D+02 -0.937371D+01
      4   0.181510D+02  0.118606D+01  0.168596D+02 -0.149701D+02  0.245045D+02
      5   0.731678D+00  0.124789D+02 -0.821817D+00  0.161817D+02  0.855821D+01
      6  -0.117262D+02 -0.338608D+01 -0.699699D+01  0.387925D+01 -0.200905D+02
               106           107           108           109           110 
      1   0.455242D+01  0.872777D+01  0.219164D+02 -0.687845D+02 -0.223313D+02
      2   0.155942D+02 -0.318212D+01 -0.225559D+02  0.254370D+02  0.262523D+01
      3  -0.201466D+02 -0.554566D+01  0.639450D+00  0.433476D+02  0.197061D+02
      4   0.155508D+01  0.212581D+02  0.546118D+01 -0.372252D+02 -0.215663D+02
      5   0.386893D+02  0.289397D+01 -0.291410D+02  0.499678D+01  0.526511D-01
      6  -0.369672D+01 -0.150712D+02 -0.763551D+01 -0.381811D-01  0.191247D+01
               111           112           113           114           115 
      1   0.504110D+01 -0.290910D+02 -0.136425D+02  0.861327D+01  0.299917D+02
      2  -0.305369D+01  0.561414D+01  0.479954D+01 -0.938334D+00 -0.130078D+02
      3  -0.198741D+01  0.234769D+02  0.884296D+01 -0.767494D+01 -0.169839D+02
      4   0.319809D+01 -0.966877D+01 -0.199682D+02  0.945157D+01  0.108876D+02
      5   0.436994D+00 -0.154486D+01  0.706993D+01 -0.180724D+01  0.199617D+02
      6  -0.356133D+01  0.286365D+01 -0.355669D+01  0.551716D+00  0.250451D+01
               116           117           118           119           120 
      1   0.521903D+01  0.195878D+02  0.781472D+01 -0.971265D+01  0.526674D+01
      2  -0.194562D+01 -0.249473D+01  0.278512D+01  0.224875D+00 -0.154111D+01
      3  -0.327340D+01 -0.170931D+02 -0.105998D+02  0.948777D+01 -0.372564D+01
      4   0.146190D+02  0.395999D+01 -0.211797D+02  0.211507D+02 -0.136614D+01
      5   0.262192D+01  0.378715D+01  0.641275D+01 -0.812281D+00  0.989270D+01
      6  -0.984426D+00 -0.138860D+01 -0.158047D+01  0.586559D+00 -0.970613D+00
               121           122           123           124           125 
      1  -0.162654D+02 -0.150030D+01 -0.281167D+00  0.659195D+01  0.162647D+01
      2   0.240403D+01  0.197150D+02 -0.322664D+01 -0.222124D+01 -0.476722D+01
      3   0.138613D+02 -0.182147D+02  0.350781D+01 -0.437071D+01  0.314074D+01
      4   0.238518D+02 -0.497689D+02  0.877311D+01 -0.326257D+01  0.116977D+02
      5  -0.226415D+01  0.789682D+01 -0.103991D+02  0.122559D+02 -0.819413D+01
      6   0.773574D+00 -0.277535D+01  0.456865D+01 -0.246824D+01  0.645399D+01
               126           127           128           129           130 
      1   0.269093D+01  0.160369D+01  0.679259D+01 -0.910374D+01  0.103192D+02
      2  -0.692298D+00 -0.129419D+01 -0.299008D+01  0.568731D+00 -0.671573D+01
      3  -0.199863D+01 -0.309504D+00 -0.380251D+01  0.853501D+01 -0.360349D+01
      4  -0.890977D+01  0.383185D+01 -0.474958D+01  0.172069D+01  0.982522D+00
      5   0.400977D+01 -0.251262D+01 -0.877576D+00 -0.377501D+01 -0.899132D+01
      6  -0.272770D+01 -0.336718D+01  0.473284D+01 -0.183639D+01  0.748125D+00
               131           132           133           134           135 
      1  -0.163720D+02  0.890530D+01 -0.429648D+01  0.572959D+01 -0.115050D+02
      2   0.595499D+01  0.341065D+01  0.142924D+01  0.169774D+01 -0.167247D+01
      3   0.104171D+02 -0.123160D+02  0.286724D+01 -0.742734D+01  0.131775D+02
      4   0.296774D+02 -0.158375D+02 -0.762350D+00 -0.109761D+02  0.882640D+01
      5  -0.118345D+02  0.163461D+02  0.248765D+01  0.705974D+01 -0.899993D+01
      6  -0.201094D+02  0.136409D+02  0.319993D+00  0.110048D+02 -0.740703D+01
               136           137           138           139           140 
      1   0.112792D+03 -0.606424D+01 -0.200389D+02 -0.471370D+01  0.666601D+01
      2  -0.668599D+02  0.263016D+01  0.184175D+02  0.131458D+01 -0.427381D+01
      3  -0.459325D+02  0.343409D+01  0.162137D+01  0.339912D+01 -0.239220D+01
      4  -0.137084D+02  0.119206D+02  0.354109D+01  0.149045D+02 -0.128895D+01
      5  -0.631915D+02  0.395149D+01  0.295017D+02  0.259860D+01 -0.728655D+01
      6   0.523253D+01 -0.411141D+01 -0.206668D+01 -0.457705D+01  0.273271D+00
               141           142           143           144           145 
      1   0.122716D+00 -0.928209D+01 -0.113009D+01  0.954264D+01 -0.172651D+01
      2  -0.212229D+00  0.940169D+01 -0.595703D-01 -0.755652D+01 -0.630811D+00
      3   0.895128D-01 -0.119595D+00  0.118966D+01 -0.198613D+01  0.235732D+01
      4  -0.594372D+01  0.195615D+00 -0.353934D+01 -0.138886D+01 -0.408506D+01
      5  -0.129815D+01  0.185606D+02 -0.623102D+00 -0.771239D+01 -0.305939D+01
      6   0.433467D+01 -0.712854D+00  0.279362D+01  0.117325D+01  0.481780D+01
               146           147           148           149           150 
      1  -0.106599D+02 -0.159192D+02 -0.936265D+01 -0.205333D+02 -0.175614D+02
      2   0.419027D+01  0.158654D+01  0.585679D+01  0.854836D+01  0.261354D+00
      3   0.646960D+01  0.143326D+02  0.350586D+01  0.119849D+02  0.173001D+02
      4  -0.521730D+01 -0.293435D+01  0.172969D+01 -0.200685D+02 -0.190371D+02
      5  -0.418646D+00 -0.602879D+01  0.717162D+01 -0.148297D+02 -0.206149D+02
      6   0.703681D+01  0.617701D+01  0.835952D+00  0.191636D+02  0.200069D+02
               151           152           153           154           155 
      1  -0.628591D+01 -0.133814D+02 -0.262844D+02  0.161482D+03  0.353612D+02
      2   0.233227D+01 -0.198941D+00 -0.363388D+01 -0.713218D+02 -0.100263D+02
      3   0.395364D+01  0.135804D+02  0.299183D+02 -0.901597D+02 -0.253349D+02
      4   0.187918D+01 -0.142181D+02 -0.155286D+02  0.590312D+02  0.409992D+02
      5   0.370840D+01 -0.134941D+02 -0.243288D+02  0.104343D+02  0.349974D+01
      6   0.428551D+00  0.156348D+02  0.187976D+02 -0.273773D+00  0.935895D+00
               156           157           158           159           160 
      1  -0.607611D+01  0.458062D+02  0.333673D+02 -0.428551D+01 -0.739851D+01
      2  -0.120284D+01 -0.979923D+01 -0.207294D+01 -0.578294D+00 -0.226282D+00
      3   0.727895D+01 -0.360070D+02 -0.312944D+02  0.486381D+01  0.762479D+01
      4  -0.226753D+00  0.596461D+02  0.498234D+02 -0.493211D+01 -0.438246D+01
      5   0.287338D+02  0.118723D+01 -0.242198D+00  0.135365D+02  0.305772D+02
      6   0.504878D+01  0.339014D+01  0.323484D+01  0.627085D+01  0.680567D+01
               161           162           163           164           165 
      1  -0.289913D+01  0.187119D+02  0.372528D+02  0.124633D+02  0.114743D+02
      2  -0.103073D+01 -0.103748D+02 -0.239825D+02 -0.424817D+01 -0.806270D+01
      3   0.392985D+01 -0.833713D+01 -0.132702D+02 -0.821518D+01 -0.341158D+01
      4  -0.831174D+01  0.121476D+02  0.201156D+02  0.108408D+02  0.141966D+01
      5   0.111322D+02 -0.751518D+01  0.242365D+02  0.306310D+01  0.163371D+02
      6   0.558066D+01 -0.216560D+00  0.887973D+01  0.178257D+01  0.435908D+00
               166           167           168           169           170 
      1   0.170307D+02 -0.566588D+01 -0.760570D+01 -0.536854D+01 -0.596058D+01
      2  -0.848901D+01  0.272900D+01  0.178497D+01 -0.189854D+01  0.157113D+01
      3  -0.854169D+01  0.293688D+01  0.582072D+01  0.726708D+01  0.438945D+01
      4   0.109321D+02  0.666178D+01  0.114381D+02 -0.183218D+01  0.251019D+01
      5   0.103670D+02  0.122697D+02  0.954827D+01  0.148143D+02  0.468227D+01
      6   0.249475D+01  0.665951D+01  0.120562D+02  0.465666D+00  0.985444D+01
               171           172           173           174           175 
      1  -0.275507D+02 -0.400710D+02 -0.809453D+01  0.815978D+01 -0.179411D+02
      2  -0.150773D+02  0.214190D+02  0.345964D+01  0.281499D+01  0.110193D+02
      3   0.426280D+02  0.186520D+02  0.463490D+01 -0.109748D+02  0.692184D+01
      4   0.314301D+01 -0.174541D+02 -0.743701D+01 -0.112032D+01 -0.872972D+01
      5   0.440739D+02 -0.172538D+02 -0.397347D+01 -0.114484D+02 -0.963877D+01
      6   0.810024D+01 -0.687002D+01 -0.406367D+01 -0.194360D+01 -0.342822D+01
               176           177           178           179           180 
      1  -0.816893D+01  0.223859D+01 -0.133355D+01  0.737711D+00 -0.951380D+01
      2   0.440034D+01  0.240808D+01  0.621611D+01  0.384851D+00  0.279495D+01
      3   0.376859D+01 -0.464667D+01 -0.488256D+01 -0.112256D+01  0.671884D+01
      4  -0.378404D+01  0.156862D+01 -0.416034D+01 -0.243761D+00 -0.335326D+01
      5   0.382285D+00 -0.722260D+01 -0.679625D+01 -0.169596D+01  0.345513D+00
      6  -0.237534D+01  0.211092D+01 -0.208818D+01  0.133429D+01 -0.203975D+01
               181           182           183           184           185 
      1   0.393509D+02  0.578274D+02 -0.119321D+02 -0.361212D+02  0.247958D+02
      2  -0.265736D+02 -0.429786D+02  0.386513D+01  0.251829D+02 -0.263329D+02
      3  -0.127773D+02 -0.148488D+02  0.806693D+01  0.109383D+02  0.153704D+01
      4   0.161577D+02  0.290313D+02 -0.656561D+01  0.154267D+02  0.275507D+02
      5   0.314181D+00 -0.955714D+01  0.157331D+02  0.245816D+01 -0.117728D+02
      6  -0.175112D+01  0.652111D+01 -0.138921D+02 -0.697970D+01  0.982291D+01
               186           187           188           189           190 
      1  -0.347780D+01  0.690577D+01 -0.108914D+02  0.370863D+00  0.128788D+03
      2   0.533670D+01 -0.129815D+02  0.150413D+02 -0.559707D+01 -0.713299D+02
      3  -0.185890D+01  0.607576D+01 -0.414991D+01  0.522621D+01 -0.574583D+02
      4  -0.116169D+02 -0.132932D+01 -0.141233D+02 -0.185173D+02 -0.162847D+02
      5  -0.823799D+01  0.290705D+02 -0.169107D+02  0.774359D+01  0.624514D+01
      6   0.530519D+01 -0.213351D+02  0.159033D+02  0.312157D+00  0.512925D+00
               191           192           193           194           195 
      1  -0.301293D+02 -0.889516D+00 -0.849606D+02 -0.388831D+02  0.157735D+02
      2   0.115566D+02 -0.917164D+00  0.467065D+02  0.434955D+02 -0.171780D+02
      3   0.185727D+02  0.180668D+01  0.382541D+02 -0.461241D+01  0.140450D+01
      4   0.140820D+02 -0.307728D+00 -0.390821D+02 -0.544383D+02  0.990808D+01
      5  -0.310298D+00  0.969699D+01  0.164059D+02  0.979546D+01 -0.797419D+01
      6   0.235811D+01 -0.214508D+01  0.154098D+01 -0.118774D+02 -0.537201D+01
               196           197           198           199           200 
      1   0.129796D+02  0.117628D+02  0.183938D+02 -0.118344D+03 -0.745751D+01
      2  -0.828760D+01 -0.100379D+02 -0.172845D+02  0.571398D+02  0.132928D+02
      3  -0.469200D+01 -0.172490D+01 -0.110929D+01  0.612041D+02 -0.583525D+01
      4   0.160620D+02  0.582300D+01 -0.807450D+01 -0.147240D+02 -0.256217D+02
      5   0.438430D+02 -0.140920D+02  0.258590D+01  0.333998D+01  0.104047D+02
      6  -0.399454D+01  0.775632D+01  0.367400D+01  0.675479D+01 -0.500699D+01
               201           202           203           204           205 
      1   0.862430D+01  0.110476D+03  0.322104D+01 -0.834920D+01 -0.125025D+02
      2  -0.625325D+01 -0.698528D+02 -0.140426D+02  0.841525D+01  0.975522D+01
      3  -0.237105D+01 -0.406229D+02  0.108216D+02 -0.660424D-01  0.274728D+01
      4   0.819719D+01  0.135168D+02  0.208076D+02  0.200376D+01  0.114595D+01
      5   0.387858D+01 -0.225411D+01  0.242618D+01  0.143976D+02  0.583158D+01
      6   0.686111D+00  0.376175D+01  0.957196D+01  0.685514D+01  0.175316D+01
               206           207           208           209           210 
      1   0.392614D-01 -0.110490D+02  0.752300D+01 -0.239978D+01  0.257010D+01
      2   0.303142D+01 -0.653875D+01 -0.400361D+01  0.645988D+00  0.966453D+00
      3  -0.307069D+01  0.175877D+02 -0.351938D+01  0.175380D+01 -0.353655D+01
      4   0.657563D+01  0.170037D+02 -0.179987D+02  0.114467D+02  0.242826D+01
      5   0.205082D+02 -0.939459D+01  0.126951D+01  0.155521D+01  0.192554D+02
      6   0.745300D+01  0.830688D+00  0.150503D+01 -0.728745D+00  0.924363D+00
               211           212           213           214           215 
      1  -0.129854D+02  0.110809D+01  0.300858D+01  0.352047D+01  0.120552D-01
      2   0.480851D+01  0.236099D+01  0.258908D+01 -0.139952D+01  0.121312D+01
      3   0.817685D+01 -0.346908D+01 -0.559766D+01 -0.212094D+01 -0.122518D+01
      4   0.276728D+02 -0.226445D+02  0.460997D+01 -0.226539D+01  0.163246D+01
      5  -0.630280D+00  0.602311D+01  0.131506D+02  0.106940D+02 -0.634139D+01
      6  -0.532960D+00  0.285769D+01  0.958602D+01 -0.238684D+01  0.430053D+01
               216           217           218           219           220 
      1   0.253574D+01 -0.909491D+02  0.239698D+02  0.326280D+01  0.388299D+02
      2  -0.152166D+01  0.496851D+02 -0.120898D+02 -0.925445D+00 -0.188230D+02
      3  -0.101408D+01  0.412640D+02 -0.118800D+02 -0.233735D+01 -0.200069D+02
      4  -0.688910D+01  0.284477D+02  0.155761D+02 -0.655812D+01 -0.941297D+01
      5  -0.323020D+01  0.204771D+01 -0.639958D+01  0.972345D+01 -0.859605D+01
      6  -0.249614D+01 -0.346186D+01 -0.930154D+00  0.298140D+01 -0.327673D+01
               221           222           223           224           225 
      1   0.824056D+01 -0.983932D+01 -0.121647D+01 -0.593007D+01  0.171829D+02
      2  -0.661043D+01 -0.451652D+01 -0.363653D+01 -0.316152D+01 -0.663224D+01
      3  -0.163013D+01  0.143558D+02  0.485301D+01  0.909159D+01 -0.105506D+02
      4  -0.116465D+02 -0.204053D+02 -0.688073D+01 -0.167098D+02 -0.395441D+02
      5  -0.206951D+02 -0.658132D+02 -0.106055D+02 -0.385860D+02  0.265153D+02
      6  -0.476735D+01 -0.162290D+02 -0.767796D+01 -0.108651D+02  0.779563D+01
               226           227           228           229           230 
      1  -0.975845D+01 -0.187484D+02  0.433323D+01 -0.106819D+02 -0.468348D+02
      2   0.101525D+02  0.199164D+02 -0.318122D+01  0.116817D+02  0.558676D+02
      3  -0.394056D+00 -0.116804D+01 -0.115201D+01 -0.999894D+00 -0.903277D+01
      4   0.408352D+01  0.659650D+01 -0.103379D+01  0.304358D+01 -0.394267D+01
      5  -0.463438D+00 -0.582508D+00  0.117747D+01  0.122766D+00  0.212768D+01
      6  -0.282444D+01 -0.494147D+01  0.374744D+01 -0.307387D+01 -0.134436D+02
               231           232           233           234           235 
      1   0.948711D+01  0.301026D+01  0.102437D+02 -0.224331D+01  0.180559D+02
      2  -0.834236D+01 -0.321563D+01 -0.105862D+02  0.274446D+01  0.150931D+01
      3  -0.114475D+01  0.205367D+00  0.342597D+00 -0.501147D+00 -0.195652D+02
      4   0.960482D+00 -0.333972D+00  0.696665D+00  0.104453D+01 -0.377284D+02
      5  -0.155340D+01  0.208590D+01  0.344749D-01 -0.297436D+00  0.596472D+01
      6   0.894350D+01  0.345341D-01  0.532019D+01 -0.288534D+01 -0.271065D+01
               236           237           238           239           240 
      1  -0.987004D+01  0.103934D+01 -0.677946D+01 -0.376343D+01  0.339285D+00
      2  -0.730808D+01  0.323103D-02 -0.137866D+02  0.310225D+02 -0.197477D+01
      3   0.171781D+02 -0.104257D+01  0.205660D+02 -0.272590D+02  0.163549D+01
      4   0.374066D+02 -0.373717D+01  0.439376D+02 -0.605416D+02  0.709205D+01
      5  -0.528663D+01  0.550719D+01 -0.809052D+01  0.965972D+01 -0.727511D+01
      6   0.281726D+01 -0.372219D+01  0.611533D+01 -0.810911D+01  0.706520D+01
               241           242           243           244           245 
      1  -0.264976D+00  0.906469D+00 -0.147951D+01  0.168108D+02  0.123658D+02
      2   0.345890D+01 -0.412779D+01  0.236467D+01 -0.623967D+01 -0.421423D+01
      3  -0.319393D+01  0.322132D+01 -0.885165D+00 -0.105711D+02 -0.815157D+01
      4  -0.619477D+01  0.838454D+01 -0.409065D+01  0.213190D+02  0.155207D+02
      5   0.205452D+00 -0.353008D+01  0.186435D+01 -0.451518D+01 -0.297527D+01
      6   0.320698D+00  0.363175D+01 -0.200549D+01 -0.115595D+01 -0.105903D+01
               246           247           248           249           250 
      1  -0.320419D+01  0.152769D+02  0.217789D+00 -0.815299D+00 -0.373234D+01
      2   0.158654D+01 -0.195735D+01  0.110172D+02 -0.226081D+00  0.159029D+01
      3   0.161765D+01 -0.133195D+02 -0.112350D+02  0.104138D+01  0.214205D+01
      4  -0.366351D+01  0.265526D+02  0.363365D+02 -0.725885D+01 -0.604372D+01
      5   0.301310D+01 -0.505504D+01 -0.586357D+01  0.552029D+01  0.230166D+01
      6   0.120064D+01 -0.230006D+01 -0.399157D+01  0.455499D+01  0.258048D+01
               251           252           253           254           255 
      1  -0.118037D+01 -0.585596D+00 -0.722102D+00  0.293143D+00 -0.124862D+02
      2  -0.971766D+00  0.164305D+01 -0.698964D+00 -0.533133D+00  0.387290D+01
      3   0.215214D+01 -0.105746D+01  0.142107D+01  0.239990D+00  0.861330D+01
      4  -0.800757D+01  0.212403D+01 -0.300661D+01 -0.228016D+01 -0.624463D+00
      5   0.478136D+00 -0.118161D+01 -0.752801D+01 -0.531388D-01 -0.717870D+01
      6   0.178011D+01 -0.179354D+01 -0.155491D+01  0.884251D+00 -0.283986D+01
               256           257           258           259           260 
      1   0.312884D+01 -0.121356D+00  0.185537D+01 -0.270890D+02 -0.171747D+01
      2  -0.189382D+01  0.942356D+00  0.203167D+00  0.183684D+02  0.238199D+01
      3  -0.123502D+01 -0.820999D+00 -0.205854D+01  0.872053D+01 -0.664518D+00
      4   0.146546D+02  0.177236D+02 -0.161522D+02 -0.150228D+02 -0.158242D+02
      5  -0.956766D+01 -0.149621D+02  0.270472D+02  0.289271D+02  0.226666D+02
      6  -0.346441D+01 -0.657580D+01  0.111930D+02  0.739888D+01  0.970711D+01
               261           262           263           264           265 
      1  -0.634983D+01  0.204429D+03 -0.152481D+02 -0.804731D+01 -0.421131D+02
      2  -0.107219D+02 -0.107441D+03  0.896921D+01  0.506915D+01  0.231808D+02
      3   0.170717D+02 -0.969874D+02  0.627892D+01  0.297816D+01  0.189322D+02
      4   0.243562D+02 -0.581377D+01  0.155917D+02  0.939119D+00  0.206564D+02
      5  -0.664058D+02 -0.118570D+02  0.155588D+01  0.176952D+02  0.334784D+01
      6  -0.158211D+02  0.183865D+01 -0.942284D+00  0.508981D+00 -0.141671D+01
               266           267           268           269           270 
      1   0.191861D+02  0.203769D+01 -0.278487D+01  0.582728D+00  0.158764D+02
      2  -0.943538D+01 -0.938041D+00  0.254329D+01  0.139424D+00 -0.960326D+01
      3  -0.975073D+01 -0.109964D+01  0.241580D+00 -0.722151D+00 -0.627314D+01
      4  -0.103054D+02  0.711013D+00  0.104592D+01  0.162464D+01  0.178732D+01
      5   0.356585D+00 -0.233139D+01  0.231874D+02  0.928451D+00 -0.412051D+01
      6   0.110431D+01  0.154690D+01  0.553266D+00  0.197725D+01 -0.325041D+00
               271           272           273           274           275 
      1   0.748927D+01  0.571165D+01  0.102154D+02  0.165198D+02  0.593424D+01
      2  -0.263482D+01 -0.297974D+01 -0.537467D+01 -0.457600D+01  0.645445D+01
      3  -0.485445D+01 -0.273191D+01 -0.484077D+01 -0.119438D+02 -0.123887D+02
      4   0.410076D+01  0.173867D+01  0.252655D+01  0.297262D+02  0.420887D+02
      5   0.100238D+02  0.152678D+01 -0.396385D+01  0.138496D+02  0.252019D+02
      6   0.244733D+01 -0.369070D-01 -0.191505D+01  0.510178D+01  0.874592D+01
               276           277           278           279 
      1   0.178489D+01  0.288443D+02  0.554583D+01 -0.133201D+01
      2   0.404749D+01 -0.130340D+02  0.940847D+00 -0.642200D+00
      3  -0.583237D+01 -0.158103D+02 -0.648668D+01  0.197421D+01
      4   0.254947D+02  0.216110D+02  0.266445D+02  0.270137D+02
      5   0.299960D+02  0.201894D+02  0.264471D+02  0.368233D+02
      6   0.969877D+01  0.692368D+01  0.941313D+01  0.102111D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 02:36:01 2021, MaxMem=  5368709120 cpu:          137611.4 elap:           17215.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51897 -19.51748 -19.46168 -10.57527 -10.51848
 Alpha  occ. eigenvalues --  -10.50088 -10.47183 -10.46902 -10.46822 -10.46374
 Alpha  occ. eigenvalues --  -10.46090 -10.46064 -10.46051 -10.45883 -10.45578
 Alpha  occ. eigenvalues --  -10.45220 -10.43596  -1.24734  -1.22447  -1.15734
 Alpha  occ. eigenvalues --   -1.04208  -0.99531  -0.94992  -0.92787  -0.89833
 Alpha  occ. eigenvalues --   -0.87422  -0.84612  -0.79741  -0.77138  -0.75051
 Alpha  occ. eigenvalues --   -0.74189  -0.72699  -0.67141  -0.66052  -0.65253
 Alpha  occ. eigenvalues --   -0.63174  -0.60879  -0.60115  -0.58287  -0.58256
 Alpha  occ. eigenvalues --   -0.57786  -0.56667  -0.55227  -0.54568  -0.53983
 Alpha  occ. eigenvalues --   -0.53372  -0.53042  -0.51058  -0.49424  -0.49010
 Alpha  occ. eigenvalues --   -0.47907  -0.47530  -0.46667  -0.45316  -0.44150
 Alpha  occ. eigenvalues --   -0.43581  -0.42859  -0.40661  -0.38622  -0.34130
 Alpha  occ. eigenvalues --   -0.31363
 Alpha virt. eigenvalues --   -0.01982  -0.01069  -0.00834  -0.00067   0.00150
 Alpha virt. eigenvalues --    0.00538   0.00807   0.01185   0.01508   0.01852
 Alpha virt. eigenvalues --    0.02445   0.03243   0.03585   0.03856   0.04277
 Alpha virt. eigenvalues --    0.04733   0.05220   0.05869   0.06118   0.06633
 Alpha virt. eigenvalues --    0.06894   0.07277   0.08061   0.08517   0.08678
 Alpha virt. eigenvalues --    0.08990   0.09505   0.09632   0.09926   0.09988
 Alpha virt. eigenvalues --    0.10373   0.11091   0.11343   0.11480   0.11812
 Alpha virt. eigenvalues --    0.12212   0.12425   0.12650   0.12981   0.13411
 Alpha virt. eigenvalues --    0.13539   0.13743   0.13792   0.14213   0.14841
 Alpha virt. eigenvalues --    0.15275   0.15927   0.16266   0.16567   0.17050
 Alpha virt. eigenvalues --    0.17252   0.17571   0.18033   0.18112   0.18326
 Alpha virt. eigenvalues --    0.19344   0.19518   0.20044   0.20579   0.21709
 Alpha virt. eigenvalues --    0.21791   0.22163   0.23109   0.23816   0.24532
 Alpha virt. eigenvalues --    0.24761   0.25398   0.25573   0.25831   0.26127
 Alpha virt. eigenvalues --    0.26330   0.26514   0.26736   0.27277   0.27586
 Alpha virt. eigenvalues --    0.27876   0.28205   0.28366   0.28575   0.28971
 Alpha virt. eigenvalues --    0.29282   0.29858   0.29958   0.30321   0.30478
 Alpha virt. eigenvalues --    0.31642   0.31815   0.32266   0.32460   0.32748
 Alpha virt. eigenvalues --    0.33018   0.33504   0.33695   0.34172   0.34708
 Alpha virt. eigenvalues --    0.34831   0.34939   0.35486   0.35598   0.36365
 Alpha virt. eigenvalues --    0.36799   0.37311   0.37358   0.38141   0.38746
 Alpha virt. eigenvalues --    0.38932   0.39628   0.39782   0.39972   0.40496
 Alpha virt. eigenvalues --    0.40968   0.41265   0.41980   0.42396   0.42701
 Alpha virt. eigenvalues --    0.43516   0.43918   0.44201   0.44674   0.45256
 Alpha virt. eigenvalues --    0.45851   0.46151   0.46610   0.47313   0.47918
 Alpha virt. eigenvalues --    0.48055   0.48793   0.48958   0.49317   0.49908
 Alpha virt. eigenvalues --    0.50248   0.51199   0.51834   0.52246   0.52551
 Alpha virt. eigenvalues --    0.53005   0.54023   0.54436   0.54594   0.54981
 Alpha virt. eigenvalues --    0.55274   0.55844   0.56161   0.56724   0.57048
 Alpha virt. eigenvalues --    0.57264   0.57663   0.57857   0.58575   0.59089
 Alpha virt. eigenvalues --    0.59277   0.59687   0.60245   0.60462   0.61182
 Alpha virt. eigenvalues --    0.61729   0.61967   0.62350   0.62821   0.63133
 Alpha virt. eigenvalues --    0.63686   0.64078   0.64399   0.64722   0.65333
 Alpha virt. eigenvalues --    0.65583   0.65890   0.66219   0.66624   0.66963
 Alpha virt. eigenvalues --    0.67769   0.68112   0.68327   0.69028   0.69253
 Alpha virt. eigenvalues --    0.69835   0.70304   0.70758   0.71064   0.71679
 Alpha virt. eigenvalues --    0.72250   0.72442   0.72734   0.73124   0.74280
 Alpha virt. eigenvalues --    0.74568   0.75134   0.75533   0.76155   0.76563
 Alpha virt. eigenvalues --    0.77207   0.77834   0.78655   0.78948   0.79256
 Alpha virt. eigenvalues --    0.79726   0.80501   0.80953   0.81563   0.81729
 Alpha virt. eigenvalues --    0.82060   0.82562   0.83054   0.83725   0.84251
 Alpha virt. eigenvalues --    0.84701   0.85547   0.86001   0.86438   0.86674
 Alpha virt. eigenvalues --    0.87147   0.88257   0.88847   0.89391   0.90171
 Alpha virt. eigenvalues --    0.90563   0.91172   0.91558   0.92061   0.92603
 Alpha virt. eigenvalues --    0.93855   0.94985   0.95574   0.96332   0.96752
 Alpha virt. eigenvalues --    0.97251   0.98227   0.98862   1.00154   1.01904
 Alpha virt. eigenvalues --    1.02170   1.03290   1.04552   1.04989   1.06188
 Alpha virt. eigenvalues --    1.06416   1.07100   1.08754   1.09254   1.10113
 Alpha virt. eigenvalues --    1.10913   1.11208   1.12057   1.13784   1.14493
 Alpha virt. eigenvalues --    1.14660   1.17356   1.18291   1.18939   1.19750
 Alpha virt. eigenvalues --    1.20365   1.21815   1.22525   1.23234   1.23985
 Alpha virt. eigenvalues --    1.24749   1.25667   1.26360   1.27269   1.28505
 Alpha virt. eigenvalues --    1.29915   1.30984   1.31346   1.32231   1.34162
 Alpha virt. eigenvalues --    1.34727   1.36410   1.37327   1.38264   1.38990
 Alpha virt. eigenvalues --    1.39437   1.41216   1.41753   1.42590   1.42925
 Alpha virt. eigenvalues --    1.43861   1.44191   1.45894   1.46134   1.46947
 Alpha virt. eigenvalues --    1.47518   1.48108   1.49727   1.50058   1.50789
 Alpha virt. eigenvalues --    1.52212   1.53655   1.54165   1.55298   1.55709
 Alpha virt. eigenvalues --    1.56319   1.56851   1.58192   1.58894   1.59362
 Alpha virt. eigenvalues --    1.59623   1.60636   1.61877   1.62560   1.63190
 Alpha virt. eigenvalues --    1.63509   1.64172   1.64877   1.66145   1.67284
 Alpha virt. eigenvalues --    1.68500   1.68590   1.69422   1.69882   1.70878
 Alpha virt. eigenvalues --    1.71378   1.71987   1.73209   1.73733   1.74025
 Alpha virt. eigenvalues --    1.74837   1.75281   1.75765   1.76607   1.78460
 Alpha virt. eigenvalues --    1.78969   1.79713   1.79968   1.81607   1.82242
 Alpha virt. eigenvalues --    1.82757   1.83484   1.84319   1.85727   1.86569
 Alpha virt. eigenvalues --    1.87618   1.88896   1.89351   1.90006   1.91747
 Alpha virt. eigenvalues --    1.92435   1.94008   1.94767   1.95454   1.95972
 Alpha virt. eigenvalues --    1.96864   1.97439   1.98007   1.98974   2.00239
 Alpha virt. eigenvalues --    2.01089   2.02093   2.02273   2.02737   2.03894
 Alpha virt. eigenvalues --    2.04730   2.05660   2.05959   2.06927   2.07435
 Alpha virt. eigenvalues --    2.08268   2.08822   2.09571   2.10806   2.10934
 Alpha virt. eigenvalues --    2.11929   2.13051   2.14188   2.14634   2.15909
 Alpha virt. eigenvalues --    2.17837   2.18019   2.18306   2.18877   2.19697
 Alpha virt. eigenvalues --    2.20541   2.21806   2.22769   2.23757   2.24324
 Alpha virt. eigenvalues --    2.24805   2.25819   2.28545   2.30540   2.31399
 Alpha virt. eigenvalues --    2.31868   2.34666   2.35604   2.35873   2.36164
 Alpha virt. eigenvalues --    2.38619   2.39215   2.39859   2.41971   2.42716
 Alpha virt. eigenvalues --    2.43467   2.45060   2.46513   2.49531   2.50450
 Alpha virt. eigenvalues --    2.51030   2.55027   2.56572   2.57803   2.58281
 Alpha virt. eigenvalues --    2.59734   2.62154   2.64244   2.65483   2.66714
 Alpha virt. eigenvalues --    2.68052   2.69195   2.69427   2.71030   2.73580
 Alpha virt. eigenvalues --    2.75547   2.77642   2.80301   2.82006   2.85501
 Alpha virt. eigenvalues --    2.86575   2.90247   2.91527   2.93583   2.95787
 Alpha virt. eigenvalues --    2.97466   3.00442   3.00968   3.09215   3.10491
 Alpha virt. eigenvalues --    3.15479   3.21177   3.25017   3.34555   3.37838
 Alpha virt. eigenvalues --    3.44027   3.44816   3.48537   3.48955   3.49895
 Alpha virt. eigenvalues --    3.50846   3.51874   3.55281   3.57581   3.58256
 Alpha virt. eigenvalues --    3.59495   3.59817   3.64648   3.70552   3.77579
 Alpha virt. eigenvalues --    3.81129   3.83887   3.85592   3.93884   4.05891
 Alpha virt. eigenvalues --    4.42431   4.69913
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   35.101910  -4.473195 -12.397894   2.158072  -2.939026   1.777384
     2  C   -4.473195  28.991671   3.638776  -1.588580   0.691226  -9.585284
     3  C  -12.397894   3.638776  37.849819 -10.380250  -3.267323   0.595847
     4  C    2.158072  -1.588580 -10.380250  24.380264  -6.799294  -1.138561
     5  C   -2.939026   0.691226  -3.267323  -6.799294  31.473398 -12.461640
     6  C    1.777384  -9.585284   0.595847  -1.138561 -12.461640  33.484523
     7  C  -17.044277   2.983834  -5.961572   2.318510  -3.312577   2.029437
     8  H    1.092777  -0.818253  -4.657113   1.446208   0.529757  -0.120124
     9  H   -0.060981  -0.322584   0.495853   0.510795  -3.305485   1.519734
    10  H   -0.582884   0.633613  -0.184615   0.060973   2.009255  -3.520092
    11  C    0.844534  -1.103686  -2.377195  -2.274627  -2.523091   1.367769
    12  C    0.004905  -0.066140  -0.365506  -0.340171  -0.076281  -0.094833
    13  C   -0.170447  -0.007342  -0.285567   0.219634  -0.422023  -0.097784
    14  H   -0.159164  -0.083584   0.247636  -0.284301   0.084100   0.124960
    15  H    0.062744  -0.102733  -0.157085  -0.132496   0.031379   0.034653
    16  H   -0.054683   0.037930   0.029179   0.757518  -0.120187  -0.028327
    17  H   -0.024709  -0.006631   0.199572  -0.644477   0.064366   0.046024
    18  O   -0.028147   0.024307   0.142545  -0.029117   0.012039  -0.017436
    19  O   -0.027335  -0.013473   0.109587  -0.082475  -0.011641   0.031907
    20  H    0.033107  -0.069598  -0.086921   0.055991  -0.021162   0.034901
    21  C    5.801284  -7.471057  -0.024141  -0.530272   1.518148  -1.252655
    22  C   -7.322618   1.666513  -0.092899   0.630761   0.207924   0.287279
    23  C    3.689716  -7.888972   1.167385  -1.994113   4.040511  -8.097026
    24  O    0.169576  -0.100788  -0.023675   0.016795  -0.016554  -0.073307
    25  C   -0.278572   0.067353  -0.007657  -0.000124   0.024747   0.026405
    26  H    1.812624  -0.096944   0.318188  -0.082704   0.000141  -0.099795
    27  H   -0.465584   0.223769  -0.066580   0.021896   0.010763   0.023789
    28  H   -0.504227   0.704185   0.035095  -0.065217   0.339695   0.210156
    29  H   -0.035631   0.082800  -0.001508   0.004407  -0.015774  -0.001116
    30  H    0.021075  -0.105821   0.000136  -0.001645   0.007691   0.011332
    31  H   -0.036218   0.090081   0.000423   0.003953  -0.017832  -0.001855
               7          8          9         10         11         12
     1  C  -17.044277   1.092777  -0.060981  -0.582884   0.844534   0.004905
     2  C    2.983834  -0.818253  -0.322584   0.633613  -1.103686  -0.066140
     3  C   -5.961572  -4.657113   0.495853  -0.184615  -2.377195  -0.365506
     4  C    2.318510   1.446208   0.510795   0.060973  -2.274627  -0.340171
     5  C   -3.312577   0.529757  -3.305485   2.009255  -2.523091  -0.076281
     6  C    2.029437  -0.120124   1.519734  -3.520092   1.367769  -0.094833
     7  C   45.991095   0.495686   0.056263  -0.126030   0.354274   0.027034
     8  H    0.495686   3.699605  -0.027914  -0.000515   0.254221   0.068411
     9  H    0.056263  -0.027914   2.925134  -0.201059   0.462034   0.014554
    10  H   -0.126030  -0.000515  -0.201059   2.673296   0.041594   0.004654
    11  C    0.354274   0.254221   0.462034   0.041594  15.184642   0.137656
    12  C    0.027034   0.068411   0.014554   0.004654   0.137656   5.150611
    13  C    0.052463   0.020661   0.006060   0.000746  -2.210398  -0.102483
    14  H    0.058237  -0.014679  -0.118208   0.004282  -1.425243   0.237451
    15  H    0.051109  -0.112423   0.004195  -0.000520  -0.373970   0.598830
    16  H   -0.005923   0.032742   0.006139   0.000039  -0.276730  -0.087953
    17  H   -0.019206   0.008391  -0.001972   0.002698   0.523548   0.078594
    18  O   -0.009625  -0.014791   0.001806  -0.000382  -0.293706   0.047857
    19  O    0.003492  -0.000137   0.003840   0.000668   0.254615  -0.003531
    20  H    0.024721  -0.004727  -0.012469  -0.000056  -0.155473   0.009696
    21  C  -21.090953   0.416020   0.045439  -0.040709  -0.143447   0.020811
    22  C    8.411009  -0.055427  -0.039147   0.176857   0.127330  -0.010659
    23  C   -8.504414  -0.054773  -0.177332   0.920720  -0.503268  -0.058976
    24  O   -0.332956   0.000641   0.000003   0.001654  -0.001278   0.000043
    25  C    0.462314  -0.001373  -0.000396   0.012679   0.000836  -0.000096
    26  H   -4.130643  -0.215213   0.003482  -0.003730  -0.009696   0.004848
    27  H    1.832792  -0.000660  -0.000884   0.004823  -0.002337  -0.000255
    28  H   -0.268017   0.012606   0.004400  -0.147448  -0.009939   0.001322
    29  H    0.053232  -0.000743  -0.000515   0.003098   0.000617  -0.000049
    30  H   -0.009403   0.000102   0.000197  -0.001549  -0.000099   0.000026
    31  H    0.053435  -0.000466  -0.000635   0.003385   0.000598  -0.000124
              13         14         15         16         17         18
     1  C   -0.170447  -0.159164   0.062744  -0.054683  -0.024709  -0.028147
     2  C   -0.007342  -0.083584  -0.102733   0.037930  -0.006631   0.024307
     3  C   -0.285567   0.247636  -0.157085   0.029179   0.199572   0.142545
     4  C    0.219634  -0.284301  -0.132496   0.757518  -0.644477  -0.029117
     5  C   -0.422023   0.084100   0.031379  -0.120187   0.064366   0.012039
     6  C   -0.097784   0.124960   0.034653  -0.028327   0.046024  -0.017436
     7  C    0.052463   0.058237   0.051109  -0.005923  -0.019206  -0.009625
     8  H    0.020661  -0.014679  -0.112423   0.032742   0.008391  -0.014791
     9  H    0.006060  -0.118208   0.004195   0.006139  -0.001972   0.001806
    10  H    0.000746   0.004282  -0.000520   0.000039   0.002698  -0.000382
    11  C   -2.210398  -1.425243  -0.373970  -0.276730   0.523548  -0.293706
    12  C   -0.102483   0.237451   0.598830  -0.087953   0.078594   0.047857
    13  C    8.164613   0.193868   0.014369   0.014597  -0.090020   0.669985
    14  H    0.193868   2.521051   0.124031  -0.027794  -0.055933   0.052772
    15  H    0.014369   0.124031   1.770351  -0.396232  -0.310590   0.035502
    16  H    0.014597  -0.027794  -0.396232   1.757842  -0.414673  -0.023085
    17  H   -0.090020  -0.055933  -0.310590  -0.414673   1.781715   0.017978
    18  O    0.669985   0.052772   0.035502  -0.023085   0.017978   7.702396
    19  O   -0.115098  -0.002691   0.007356  -0.005073   0.007288  -0.064986
    20  H    0.072367   0.036214   0.003378   0.000635  -0.003343  -0.000320
    21  C    0.007683  -0.010370   0.010610   0.001292  -0.003068  -0.000905
    22  C    0.002943   0.006972   0.000574  -0.000339  -0.000007  -0.000766
    23  C   -0.042512  -0.029711  -0.016611   0.001252   0.003168   0.003257
    24  O   -0.000002  -0.000138   0.000096  -0.000010   0.000007   0.000000
    25  C   -0.000030   0.000095  -0.000025  -0.000010   0.000022  -0.000000
    26  H    0.000193  -0.002877   0.010091  -0.001742  -0.000445   0.000269
    27  H   -0.000411  -0.000100  -0.000655   0.000093   0.000107   0.000027
    28  H   -0.000346  -0.001015  -0.000353   0.000144   0.000191   0.000086
    29  H   -0.000011   0.000096   0.000020  -0.000004  -0.000011  -0.000002
    30  H   -0.000003  -0.000028  -0.000006   0.000001   0.000008   0.000000
    31  H    0.000028   0.000123  -0.000008  -0.000004  -0.000035  -0.000002
              19         20         21         22         23         24
     1  C   -0.027335   0.033107   5.801284  -7.322618   3.689716   0.169576
     2  C   -0.013473  -0.069598  -7.471057   1.666513  -7.888972  -0.100788
     3  C    0.109587  -0.086921  -0.024141  -0.092899   1.167385  -0.023675
     4  C   -0.082475   0.055991  -0.530272   0.630761  -1.994113   0.016795
     5  C   -0.011641  -0.021162   1.518148   0.207924   4.040511  -0.016554
     6  C    0.031907   0.034901  -1.252655   0.287279  -8.097026  -0.073307
     7  C    0.003492   0.024721 -21.090953   8.411009  -8.504414  -0.332956
     8  H   -0.000137  -0.004727   0.416020  -0.055427  -0.054773   0.000641
     9  H    0.003840  -0.012469   0.045439  -0.039147  -0.177332   0.000003
    10  H    0.000668  -0.000056  -0.040709   0.176857   0.920720   0.001654
    11  C    0.254615  -0.155473  -0.143447   0.127330  -0.503268  -0.001278
    12  C   -0.003531   0.009696   0.020811  -0.010659  -0.058976   0.000043
    13  C   -0.115098   0.072367   0.007683   0.002943  -0.042512  -0.000002
    14  H   -0.002691   0.036214  -0.010370   0.006972  -0.029711  -0.000138
    15  H    0.007356   0.003378   0.010610   0.000574  -0.016611   0.000096
    16  H   -0.005073   0.000635   0.001292  -0.000339   0.001252  -0.000010
    17  H    0.007288  -0.003343  -0.003068  -0.000007   0.003168   0.000007
    18  O   -0.064986  -0.000320  -0.000905  -0.000766   0.003257   0.000000
    19  O    7.927568   0.228865   0.001433  -0.002004  -0.003256  -0.000003
    20  H    0.228865   0.686192   0.001091   0.001795  -0.015251   0.000001
    21  C    0.001433   0.001091  36.095589 -10.123849   3.841386  -0.022273
    22  C   -0.002004   0.001795 -10.123849  21.447909  -9.626289  -0.182873
    23  C   -0.003256  -0.015251   3.841386  -9.626289  29.711718   0.635938
    24  O   -0.000003   0.000001  -0.022273  -0.182873   0.635938   8.360246
    25  C   -0.000022  -0.000062  -0.588433   0.060529  -0.025511   0.242255
    26  H   -0.000209  -0.000836   2.218660  -0.754577   0.209982  -0.007582
    27  H    0.000016   0.000099  -3.157332   1.342992  -0.231611  -0.107231
    28  H   -0.000045   0.000046   0.712132   1.378871  -3.639276  -0.153505
    29  H   -0.000012   0.000003  -0.058159  -0.067914  -0.022471   0.087843
    30  H    0.000002  -0.000006   0.029521   0.219128   0.019488  -0.327065
    31  H   -0.000004   0.000012  -0.063978  -0.053839  -0.031664   0.087207
              25         26         27         28         29         30
     1  C   -0.278572   1.812624  -0.465584  -0.504227  -0.035631   0.021075
     2  C    0.067353  -0.096944   0.223769   0.704185   0.082800  -0.105821
     3  C   -0.007657   0.318188  -0.066580   0.035095  -0.001508   0.000136
     4  C   -0.000124  -0.082704   0.021896  -0.065217   0.004407  -0.001645
     5  C    0.024747   0.000141   0.010763   0.339695  -0.015774   0.007691
     6  C    0.026405  -0.099795   0.023789   0.210156  -0.001116   0.011332
     7  C    0.462314  -4.130643   1.832792  -0.268017   0.053232  -0.009403
     8  H   -0.001373  -0.215213  -0.000660   0.012606  -0.000743   0.000102
     9  H   -0.000396   0.003482  -0.000884   0.004400  -0.000515   0.000197
    10  H    0.012679  -0.003730   0.004823  -0.147448   0.003098  -0.001549
    11  C    0.000836  -0.009696  -0.002337  -0.009939   0.000617  -0.000099
    12  C   -0.000096   0.004848  -0.000255   0.001322  -0.000049   0.000026
    13  C   -0.000030   0.000193  -0.000411  -0.000346  -0.000011  -0.000003
    14  H    0.000095  -0.002877  -0.000100  -0.001015   0.000096  -0.000028
    15  H   -0.000025   0.010091  -0.000655  -0.000353   0.000020  -0.000006
    16  H   -0.000010  -0.001742   0.000093   0.000144  -0.000004   0.000001
    17  H    0.000022  -0.000445   0.000107   0.000191  -0.000011   0.000008
    18  O   -0.000000   0.000269   0.000027   0.000086  -0.000002   0.000000
    19  O   -0.000022  -0.000209   0.000016  -0.000045  -0.000012   0.000002
    20  H   -0.000062  -0.000836   0.000099   0.000046   0.000003  -0.000006
    21  C   -0.588433   2.218660  -3.157332   0.712132  -0.058159   0.029521
    22  C    0.060529  -0.754577   1.342992   1.378871  -0.067914   0.219128
    23  C   -0.025511   0.209982  -0.231611  -3.639276  -0.022471   0.019488
    24  O    0.242255  -0.007582  -0.107231  -0.153505   0.087843  -0.327065
    25  C    4.292567  -0.003903   0.041932  -0.100652   0.331355   0.260859
    26  H   -0.003903   2.715463  -0.145511   0.005574  -0.000071   0.000005
    27  H    0.041932  -0.145511   2.408730  -0.036135   0.008670  -0.007165
    28  H   -0.100652   0.005574  -0.036135   3.589689  -0.057554   0.035137
    29  H    0.331355  -0.000071   0.008670  -0.057554   1.327642  -0.441485
    30  H    0.260859   0.000005  -0.007165   0.035137  -0.441485   2.097696
    31  H    0.326359  -0.000385   0.009089  -0.060294  -0.103032  -0.443157
              31
     1  C   -0.036218
     2  C    0.090081
     3  C    0.000423
     4  C    0.003953
     5  C   -0.017832
     6  C   -0.001855
     7  C    0.053435
     8  H   -0.000466
     9  H   -0.000635
    10  H    0.003385
    11  C    0.000598
    12  C   -0.000124
    13  C    0.000028
    14  H    0.000123
    15  H   -0.000008
    16  H   -0.000004
    17  H   -0.000035
    18  O   -0.000002
    19  O   -0.000004
    20  H    0.000012
    21  C   -0.063978
    22  C   -0.053839
    23  C   -0.031664
    24  O    0.087207
    25  C    0.326359
    26  H   -0.000385
    27  H    0.009089
    28  H   -0.060294
    29  H   -0.103032
    30  H   -0.443157
    31  H    1.332867
 Mulliken charges:
               1
     1  C    0.035885
     2  C    0.068607
     3  C    1.507459
     4  C   -0.217352
     5  C    0.264752
     6  C    0.983738
     7  C    1.556658
     8  H   -0.978499
     9  H   -0.790346
    10  H   -0.745443
    11  C    0.129916
    12  C    0.799755
    13  C    0.104266
    14  H   -0.476055
    15  H   -0.155580
    16  H   -0.196633
    17  H   -0.158556
    18  O   -0.227557
    19  O   -0.244640
    20  H    0.181108
    21  C   -0.139494
    22  C   -1.636177
    23  C    2.718516
    24  O   -0.253066
    25  C    0.856559
    26  H   -0.742653
    27  H   -0.707138
    28  H   -0.985309
    29  H   -0.093721
    30  H   -0.364973
    31  H   -0.094027
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.035885
     2  C    0.068607
     3  C    0.528960
     4  C   -0.217352
     5  C   -0.525594
     6  C    0.238295
     7  C    0.814005
    11  C   -0.346139
    12  C    0.288985
    13  C    0.104266
    18  O   -0.227557
    19  O   -0.063532
    21  C   -0.846632
    22  C   -1.636177
    23  C    1.733207
    24  O   -0.253066
    25  C    0.303838
 Electronic spatial extent (au):  <R**2>=           5398.2498
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.2130    Y=              3.3554    Z=              0.8418  Tot=              6.2564
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.6053   YY=            -92.9044   ZZ=           -104.1024
   XY=             -5.5032   XZ=             -8.5611   YZ=             -4.6468
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.7346   YY=              9.9663   ZZ=             -1.2317
   XY=             -5.5032   XZ=             -8.5611   YZ=             -4.6468
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            212.7189  YYY=             -3.7651  ZZZ=             -5.5409  XYY=             11.0406
  XXY=             87.2268  XXZ=             17.6871  XZZ=              0.2746  YZZ=              1.4186
  YYZ=              1.1507  XYZ=              5.0643
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6046.3145 YYYY=           -748.5313 ZZZZ=           -462.4581 XXXY=            -75.9235
 XXXZ=           -168.1137 YYYX=            -16.7595 YYYZ=            -18.2073 ZZZX=             -7.6105
 ZZZY=              1.0719 XXYY=          -1111.0734 XXZZ=          -1085.7750 YYZZ=           -222.6982
 XXYZ=            -44.7315 YYXZ=              1.6244 ZZXY=             -2.9360
 N-N= 1.136479409844D+03 E-N=-4.059583758731D+03  KE= 7.624548042035D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 02:36:02 2021, MaxMem=  5368709120 cpu:               5.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.9595    4.9572       -5.5235   -5.5223
 2     -4.9595   -4.9572        4.0457    4.0447      -56.8925  -56.8855
 3      5.5235    5.5223       83.8765   83.8758       -4.0540   -4.0447
 4     -4.0457   -4.0447       -0.0000    0.0000        5.5199    5.5223
 5    -26.9841  -26.9903       -5.5199   -5.5223        4.9589    4.9572
 6      4.0540    4.0447       -4.9589   -4.9572        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -14.8716  -14.8716      -16.5669  -16.5669
 2    -12.1341  -12.1341        0.0000    0.0000      -16.5669  -16.5669
 3    -12.1341  -12.1341      -14.8716  -14.8716        0.0000    0.0000
 4    -14.8716  -14.8716       12.1341   12.1341     -170.6566 -170.6566
 5     16.5669   16.5669      251.6275  251.6275      -12.1341  -12.1341
 6    -80.9709  -80.9709      -16.5669  -16.5669       14.8717   14.8716
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.1838    0.0000      -19.6633  -19.8289       21.8885   22.0891
 2     20.3431   19.8289      -15.6038  -16.1788      226.4884  227.5421
 3    -22.4189  -22.0891     -335.6026 -335.5034       16.3023   16.1788
 4     15.1205   16.1788       -0.0893    0.0000      -22.3266  -22.0891
 5    107.6065  107.9613       22.2578   22.0891      -19.5248  -19.8289
 6    -16.1151  -16.1788       20.4713   19.8289        0.3779    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4858    0.0000       33.8303   33.1768        3.8823    4.2735
 2    -33.7524  -33.1768      -85.7180  -85.0693        5.5778    5.5660
 3     -5.4697   -4.2735       58.7821   59.6383       84.9259   85.0693
 4     84.6760   85.0693        1.1804    0.0000       -3.9830   -4.2735
 5    -65.6285  -65.2043        7.1930    4.2735       33.5945   33.1768
 6    -85.3024  -85.0693      -34.8940  -33.1768       -3.1347    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.3100   33.4121       43.1896   43.5821        7.6898    7.6581
 2    174.5532  175.0670      112.5720  111.1779        8.5508    7.6581
 3    174.6184  175.0670       45.0236   43.5821       -0.0316   -0.8376
 4    -68.6969  -67.5958     -142.1988 -141.6550       19.5178   19.6645
 5     -8.8039   -8.4957       69.8617   70.1928      143.1600  141.6550
 6    -90.6342  -89.8572       10.9576    8.4957       69.2872   67.5958
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      3.6160                 2.3396                 2.9648
  Dep-P Fr= 1--      0.7486                 0.7458                 0.7465
  Dep-U Fr= 1--      0.8562                 0.8544                 0.8549
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0002
 Beta2  Fr= 1--      0.5160                 0.3331                 0.4224
 AlphaG Fr= 1--     -0.0009                 0.0058                 0.0020
 Gamma2 Fr= 1--      0.7717                -0.6602                 1.5405
 Delta2 Fr= 1--      0.9231                -0.6380                 0.5300
 Raman1 Fr= 1--      14.464                  9.358                 11.859
 ROA1   Fr= 1--     103.618                -83.791                164.852
 CID1   Fr= 1--       7.164                 -8.954                 13.901
 Raman2 Fr= 1--       6.192                  3.998                  5.069
 ROA2   Fr= 1--      11.135                -10.741                 32.733
 CID2   Fr= 1--       1.798                 -2.687                  6.458
 Raman3 Fr= 1--      12.384                  7.995                 10.138
 ROA3   Fr= 1--     103.618                -83.791                164.852
 CID3   Fr= 1--       8.367                -10.480                 16.261
 RC180  Fr= 1--       0.712                  0.709                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      1.0361                 0.4229                 0.9210
  Dep-P Fr= 1--      0.7032                 0.4315                 0.6753
  Dep-U Fr= 1--      0.8258                 0.6028                 0.8062
 Alpha2 Fr= 1--      0.0008                 0.0028                 0.0012
 Beta2  Fr= 1--      0.1426                 0.0425                 0.1238
 AlphaG Fr= 1--     -0.0021                -0.0085                -0.0069
 Gamma2 Fr= 1--     -0.6625                -0.0792                 1.7041
 Delta2 Fr= 1--     -0.3876                 0.1872                 1.2377
 Raman1 Fr= 1--       4.145                  1.691                  3.684
 ROA1   Fr= 1--     -76.003                 -1.611                203.203
 CID1   Fr= 1--     -18.338                 -0.952                 55.155
 Raman2 Fr= 1--       1.711                  0.510                  1.485
 ROA2   Fr= 1--     -12.799                 -3.398                 30.997
 CID2   Fr= 1--      -7.479                 -6.665                 20.872
 Raman3 Fr= 1--       3.422                  1.020                  2.970
 ROA3   Fr= 1--     -76.003                 -1.611                203.203
 CID3   Fr= 1--     -22.207                 -1.580                 68.414
 RC180  Fr= 1--       0.652                  0.206                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      4.1730                 1.8693                 0.2540
  Dep-P Fr= 1--      0.3253                 0.3227                 0.5856
  Dep-U Fr= 1--      0.4909                 0.4879                 0.7387
 Alpha2 Fr= 1--      0.0396                 0.0179                 0.0008
 Beta2  Fr= 1--      0.3414                 0.1520                 0.0313
 AlphaG Fr= 1--      0.0138                 0.0148                 0.0003
 Gamma2 Fr= 1--      1.8133                -2.9628                -0.0363
 Delta2 Fr= 1--     -0.8492                -0.0920                -0.0351
 Raman1 Fr= 1--      16.692                  7.477                  1.016
 ROA1   Fr= 1--     146.897               -287.372                 -4.612
 CID1   Fr= 1--       8.800                -38.432                 -4.539
 Raman2 Fr= 1--       4.097                  1.824                  0.375
 ROA2   Fr= 1--      50.312                -70.370                 -0.591
 CID2   Fr= 1--      12.279                -38.575                 -1.575
 Raman3 Fr= 1--       8.195                  3.648                  0.751
 ROA3   Fr= 1--     146.897               -287.372                 -4.612
 CID3   Fr= 1--      17.926                -78.766                 -6.145
 RC180  Fr= 1--      -0.018                 -0.024                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.4623                 0.6389                 0.9930
  Dep-P Fr= 1--      0.6498                 0.7475                 0.5382
  Dep-U Fr= 1--      0.7878                 0.8555                 0.6998
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0041
 Beta2  Fr= 1--      0.1920                 0.0911                 0.1158
 AlphaG Fr= 1--      0.0008                 0.0006                -0.0091
 Gamma2 Fr= 1--      0.5204                -0.6903                 0.4314
 Delta2 Fr= 1--      0.0134                 0.2940                -0.0738
 Raman1 Fr= 1--       5.849                  2.556                  3.972
 ROA1   Fr= 1--      50.389                -56.859                 39.054
 CID1   Fr= 1--       8.615                -22.247                  9.832
 Raman2 Fr= 1--       2.304                  1.093                  1.390
 ROA2   Fr= 1--      12.382                -18.919                 10.944
 CID2   Fr= 1--       5.375                -17.305                  7.875
 Raman3 Fr= 1--       4.608                  2.187                  2.780
 ROA3   Fr= 1--      50.389                -56.859                 39.054
 CID3   Fr= 1--      10.936                -26.004                 14.050
 RC180  Fr= 1--       0.576                  0.711                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      1.0063                10.5547                 0.7700
  Dep-P Fr= 1--      0.1426                 0.1545                 0.3571
  Dep-U Fr= 1--      0.2495                 0.2676                 0.5263
 Alpha2 Fr= 1--      0.0159                 0.1613                 0.0066
 Beta2  Fr= 1--      0.0419                 0.4708                 0.0675
 AlphaG Fr= 1--      0.0397                -0.0537                 0.0260
 Gamma2 Fr= 1--      0.9281                -2.3896                -1.4382
 Delta2 Fr= 1--      0.1309                -0.3501                -0.2778
 Raman1 Fr= 1--       4.025                 42.219                  3.080
 ROA1   Fr= 1--      93.290               -240.606               -146.953
 CID1   Fr= 1--      23.176                 -5.699                -47.712
 Raman2 Fr= 1--       0.502                  5.650                  0.810
 ROA2   Fr= 1--      21.228                -54.549                -32.294
 CID2   Fr= 1--      42.267                 -9.655                -39.846
 Raman3 Fr= 1--       1.004                 11.299                  1.621
 ROA3   Fr= 1--      93.290               -240.606               -146.953
 CID3   Fr= 1--      92.875                -21.294                -90.660
 RC180  Fr= 1--      -0.501                 -0.465                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      3.7248                 0.6552                 3.2483
  Dep-P Fr= 1--      0.7438                 0.5130                 0.1756
  Dep-U Fr= 1--      0.8531                 0.6781                 0.2988
 Alpha2 Fr= 1--      0.0004                 0.0030                 0.0470
 Beta2  Fr= 1--      0.5296                 0.0740                 0.1617
 AlphaG Fr= 1--      0.0114                 0.0228                 0.0137
 Gamma2 Fr= 1--      0.4464                -0.5700                 0.7697
 Delta2 Fr= 1--     -0.2590                -0.0473                -0.0241
 Raman1 Fr= 1--      14.899                  2.621                 12.993
 ROA1   Fr= 1--      34.562                -56.230                 73.117
 CID1   Fr= 1--       2.320                -21.456                  5.627
 Raman2 Fr= 1--       6.355                  0.889                  1.941
 ROA2   Fr= 1--      12.785                -13.300                 18.666
 CID2   Fr= 1--       2.012                -14.968                  9.617
 Raman3 Fr= 1--      12.710                  1.777                  3.882
 ROA3   Fr= 1--      34.562                -56.230                 73.117
 CID3   Fr= 1--       2.719                -31.640                 18.835
 RC180  Fr= 1--       0.706                  0.356                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1237                 3.0178                 2.9403
  Dep-P Fr= 1--      0.7471                 0.7193                 0.6932
  Dep-U Fr= 1--      0.8553                 0.8368                 0.8188
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0029
 Beta2  Fr= 1--      0.0176                 0.4209                 0.4013
 AlphaG Fr= 1--      0.0002                 0.0166                 0.0337
 Gamma2 Fr= 1--     -0.1393                 0.1327                -1.4985
 Delta2 Fr= 1--      0.0518                 0.7886                -0.1337
 Raman1 Fr= 1--       0.495                 12.071                 11.761
 ROA1   Fr= 1--     -11.712                 37.980               -148.140
 CID1   Fr= 1--     -23.664                  3.146                -12.596
 Raman2 Fr= 1--       0.212                  5.050                  4.815
 ROA2   Fr= 1--      -3.756                 -3.123                -34.895
 CID2   Fr= 1--     -17.748                 -0.618                 -7.247
 Raman3 Fr= 1--       0.423                 10.101                  9.631
 ROA3   Fr= 1--     -11.712                 37.980               -148.140
 CID3   Fr= 1--     -27.669                  3.760                -15.382
 RC180  Fr= 1--       0.711                  0.674                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     13.5772                 1.6146                 2.2107
  Dep-P Fr= 1--      0.2608                 0.2427                 0.5430
  Dep-U Fr= 1--      0.4138                 0.3906                 0.7038
 Alpha2 Fr= 1--      0.1561                 0.0195                 0.0088
 Beta2  Fr= 1--      0.9363                 0.1051                 0.2593
 AlphaG Fr= 1--     -0.3550                 0.1631                -0.0185
 Gamma2 Fr= 1--      2.5436                 1.0143                -0.1150
 Delta2 Fr= 1--      0.2770                 0.2266                 0.2675
 Raman1 Fr= 1--      54.309                  6.459                  8.843
 ROA1   Fr= 1--     253.044                104.623                 -2.485
 CID1   Fr= 1--       4.659                 16.199                 -0.281
 Raman2 Fr= 1--      11.235                  1.261                  3.112
 ROA2   Fr= 1--      58.830                 22.530                 -4.901
 CID2   Fr= 1--       5.236                 17.862                 -1.575
 Raman3 Fr= 1--      22.470                  2.523                  6.224
 ROA3   Fr= 1--     253.044                104.623                 -2.485
 CID3   Fr= 1--      11.261                 41.473                 -0.399
 RC180  Fr= 1--      -0.172                 -0.219                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.8243                 2.2758                 0.0529
  Dep-P Fr= 1--      0.7467                 0.1826                 0.5554
  Dep-U Fr= 1--      0.8550                 0.3089                 0.7141
 Alpha2 Fr= 1--      0.0000                 0.0323                 0.0002
 Beta2  Fr= 1--      0.1175                 0.1172                 0.0063
 AlphaG Fr= 1--      0.0033                -0.1201                -0.0037
 Gamma2 Fr= 1--      0.3029                -1.3659                -0.1718
 Delta2 Fr= 1--      0.0544                -0.2840                -0.1298
 Raman1 Fr= 1--       3.297                  9.103                  0.211
 ROA1   Fr= 1--      30.822               -140.213                -20.647
 CID1   Fr= 1--       9.348                -15.403                -97.634
 Raman2 Fr= 1--       1.409                  1.406                  0.076
 ROA2   Fr= 1--       6.836                -30.509                 -3.086
 CID2   Fr= 1--       4.850                -21.701                -40.865
 Raman3 Fr= 1--       2.819                  2.812                  0.151
 ROA3   Fr= 1--      30.822               -140.213                -20.647
 CID3   Fr= 1--      10.934                -49.868               -136.717
 RC180  Fr= 1--       0.710                 -0.382                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     17.2875                38.6913                15.0210
  Dep-P Fr= 1--      0.0416                 0.0710                 0.0799
  Dep-U Fr= 1--      0.0799                 0.1326                 0.1480
 Alpha2 Fr= 1--      0.3483                 0.7268                 0.2762
 Beta2  Fr= 1--      0.2303                 0.8548                 0.3704
 AlphaG Fr= 1--     -0.2305                 0.2362                -0.1763
 Gamma2 Fr= 1--     -2.1592                 2.6493                 0.1038
 Delta2 Fr= 1--      0.0158                 0.6128                 0.3000
 Raman1 Fr= 1--      69.150                154.765                 60.084
 ROA1   Fr= 1--    -206.782                273.943                 19.561
 CID1   Fr= 1--      -2.990                  1.770                  0.326
 Raman2 Fr= 1--       2.763                 10.257                  4.445
 ROA2   Fr= 1--     -51.948                 58.681                  0.090
 CID2   Fr= 1--     -18.799                  5.721                  0.020
 Raman3 Fr= 1--       5.527                 20.514                  8.890
 ROA3   Fr= 1--    -206.782                273.943                 19.561
 CID3   Fr= 1--     -37.416                 13.354                  2.200
 RC180  Fr= 1--      -0.840                 -0.735                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      1.0766                 0.3354                 2.4000
  Dep-P Fr= 1--      0.3364                 0.6210                 0.7440
  Dep-U Fr= 1--      0.5035                 0.7662                 0.8532
 Alpha2 Fr= 1--      0.0099                 0.0008                 0.0002
 Beta2  Fr= 1--      0.0903                 0.0428                 0.3413
 AlphaG Fr= 1--     -0.0492                -0.0218                 0.0008
 Gamma2 Fr= 1--     -0.4934                 0.1456                 1.3637
 Delta2 Fr= 1--     -0.3349                -0.1149                 1.0862
 Raman1 Fr= 1--       4.306                  1.342                  9.600
 ROA1   Fr= 1--     -58.079                 10.300                165.673
 CID1   Fr= 1--     -13.487                  7.678                 17.257
 Raman2 Fr= 1--       1.084                  0.514                  4.095
 ROA2   Fr= 1--      -9.161                  4.414                 24.040
 CID2   Fr= 1--      -8.451                  8.589                  5.870
 Raman3 Fr= 1--       2.168                  1.028                  8.191
 ROA3   Fr= 1--     -58.079                 10.300                165.673
 CID3   Fr= 1--     -26.789                 10.021                 20.227
 RC180  Fr= 1--       0.007                  0.532                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     21.8696                 2.3414                 1.0900
  Dep-P Fr= 1--      0.1008                 0.6091                 0.2998
  Dep-U Fr= 1--      0.1832                 0.7571                 0.4613
 Alpha2 Fr= 1--      0.3821                 0.0061                 0.0112
 Beta2  Fr= 1--      0.6677                 0.2954                 0.0838
 AlphaG Fr= 1--      0.1773                 0.1085                 0.1063
 Gamma2 Fr= 1--     -0.2437                -0.6977                 0.2084
 Delta2 Fr= 1--     -0.8275                -0.2795                -0.1426
 Raman1 Fr= 1--      87.479                  9.366                  4.360
 ROA1   Fr= 1--     -49.871                -75.925                 15.446
 CID1   Fr= 1--      -0.570                 -8.107                  3.543
 Raman2 Fr= 1--       8.012                  3.545                  1.005
 ROA2   Fr= 1--       0.772                -14.509                  6.144
 CID2   Fr= 1--       0.096                 -4.092                  6.110
 Raman3 Fr= 1--      16.024                  7.091                  2.011
 ROA3   Fr= 1--     -49.871                -75.925                 15.446
 CID3   Fr= 1--      -3.112                -10.708                  7.681
 RC180  Fr= 1--      -0.634                  0.514                 -0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.6647                 2.0718                 0.7617
  Dep-P Fr= 1--      0.7220                 0.7289                 0.6580
  Dep-U Fr= 1--      0.8385                 0.8432                 0.7938
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0013
 Beta2  Fr= 1--      0.0929                 0.2912                 0.1008
 AlphaG Fr= 1--     -0.0094                 0.0272                -0.0527
 Gamma2 Fr= 1--      0.9923                 0.2443                -0.4470
 Delta2 Fr= 1--     -1.5855                -0.0913                 0.2324
 Raman1 Fr= 1--       2.659                  8.287                  3.047
 ROA1   Fr= 1--      44.519                 20.534                -35.475
 CID1   Fr= 1--      16.743                  2.478                -11.643
 Raman2 Fr= 1--       1.115                  3.494                  1.209
 ROA2   Fr= 1--      36.499                  6.595                -12.587
 CID2   Fr= 1--      32.739                  1.888                -10.409
 Raman3 Fr= 1--       2.230                  6.988                  2.418
 ROA3   Fr= 1--      44.519                 20.534                -35.475
 CID3   Fr= 1--      19.967                  2.939                -14.669
 RC180  Fr= 1--       0.677                  0.686                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     13.7104                 4.3416                 3.4732
  Dep-P Fr= 1--      0.1067                 0.4622                 0.3631
  Dep-U Fr= 1--      0.1927                 0.6322                 0.5328
 Alpha2 Fr= 1--      0.2362                 0.0253                 0.0292
 Beta2  Fr= 1--      0.4404                 0.4575                 0.3084
 AlphaG Fr= 1--     -0.1344                 0.0938                 0.0089
 Gamma2 Fr= 1--     -0.0913                -0.8064                 0.5872
 Delta2 Fr= 1--      0.3893                -1.4072                 0.0670
 Raman1 Fr= 1--      54.842                 17.366                 13.893
 ROA1   Fr= 1--       3.694               -122.442                 58.514
 CID1   Fr= 1--       0.067                 -7.051                  4.212
 Raman2 Fr= 1--       5.285                  5.490                  3.701
 ROA2   Fr= 1--      -5.306                 -8.096                 13.557
 CID2   Fr= 1--      -1.004                 -1.475                  3.663
 Raman3 Fr= 1--      10.571                 10.979                  7.401
 ROA3   Fr= 1--       3.694               -122.442                 58.514
 CID3   Fr= 1--       0.349                -11.152                  7.906
 RC180  Fr= 1--      -0.615                  0.264                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      2.5706                 9.9299                 1.1495
  Dep-P Fr= 1--      0.6586                 0.1776                 0.7035
  Dep-U Fr= 1--      0.7942                 0.3017                 0.8260
 Alpha2 Fr= 1--      0.0042                 0.1430                 0.0009
 Beta2  Fr= 1--      0.3402                 0.4993                 0.1582
 AlphaG Fr= 1--      0.0008                -0.2053                -0.0012
 Gamma2 Fr= 1--      0.1295                -1.5625                 0.1644
 Delta2 Fr= 1--      0.3220                 1.9443                 0.3970
 Raman1 Fr= 1--      10.282                 39.720                  4.598
 ROA1   Fr= 1--      22.739                -87.782                 28.483
 CID1   Fr= 1--       2.211                 -2.210                  6.195
 Raman2 Fr= 1--       4.083                  5.991                  1.899
 ROA2   Fr= 1--       0.532                -53.054                  0.768
 CID2   Fr= 1--       0.130                 -8.855                  0.405
 Raman3 Fr= 1--       8.166                 11.983                  3.798
 ROA3   Fr= 1--      22.739                -87.782                 28.483
 CID3   Fr= 1--       2.785                 -7.326                  7.500
 RC180  Fr= 1--       0.588                 -0.397                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.8664                16.2924                 8.7640
  Dep-P Fr= 1--      0.7473                 0.4178                 0.7019
  Dep-U Fr= 1--      0.8554                 0.5894                 0.8249
 Alpha2 Fr= 1--      0.0000                 0.1131                 0.0073
 Beta2  Fr= 1--      0.1235                 1.6005                 1.2049
 AlphaG Fr= 1--      0.0079                 0.0274                -0.0059
 Gamma2 Fr= 1--      0.0652                 2.9327                -1.2365
 Delta2 Fr= 1--      0.0105                 3.8970                -2.3894
 Raman1 Fr= 1--       3.466                 65.169                 35.056
 ROA1   Fr= 1--       6.593                406.240               -195.165
 CID1   Fr= 1--       1.903                  6.234                 -5.567
 Raman2 Fr= 1--       1.482                 19.206                 14.458
 ROA2   Fr= 1--       1.480                 39.207                -10.561
 CID2   Fr= 1--       0.998                  2.041                 -0.730
 Raman3 Fr= 1--       2.964                 38.412                 28.917
 ROA3   Fr= 1--       6.593                406.240               -195.165
 CID3   Fr= 1--       2.224                 10.576                 -6.749
 RC180  Fr= 1--       0.711                  0.179                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      1.2453                43.0417                 6.7752
  Dep-P Fr= 1--      0.6867                 0.1090                 0.2905
  Dep-U Fr= 1--      0.8142                 0.1966                 0.4502
 Alpha2 Fr= 1--      0.0014                 0.7371                 0.0715
 Beta2  Fr= 1--      0.1690                 1.4104                 0.5084
 AlphaG Fr= 1--     -0.0010                -0.0226                -0.0049
 Gamma2 Fr= 1--     -2.2540                -2.0545                 0.8173
 Delta2 Fr= 1--     -1.0448                 0.3875                -0.3685
 Raman1 Fr= 1--       4.981                172.167                 27.101
 ROA1   Fr= 1--    -249.817               -184.836                 66.674
 CID1   Fr= 1--     -50.151                 -1.074                  2.460
 Raman2 Fr= 1--       2.028                 16.925                  6.101
 ROA2   Fr= 1--     -45.738                -52.409                 22.564
 CID2   Fr= 1--     -22.554                 -3.097                  3.698
 Raman3 Fr= 1--       4.056                 33.850                 12.202
 ROA3   Fr= 1--    -249.817               -184.836                 66.674
 CID3   Fr= 1--     -61.594                 -5.460                  5.464
 RC180  Fr= 1--       0.628                 -0.607                 -0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      8.2259                 9.3375                 9.4204
  Dep-P Fr= 1--      0.2747                 0.3457                 0.7499
  Dep-U Fr= 1--      0.4310                 0.5138                 0.8571
 Alpha2 Fr= 1--      0.0909                 0.0831                 0.0000
 Beta2  Fr= 1--      0.5909                 0.7996                 1.3456
 AlphaG Fr= 1--      0.0272                 0.0399                -0.0006
 Gamma2 Fr= 1--      1.0741                 5.8267                -4.5024
 Delta2 Fr= 1--      1.4289                -0.8159                -2.2460
 Raman1 Fr= 1--      32.904                 37.350                 37.681
 ROA1   Fr= 1--     148.835                533.251               -504.099
 CID1   Fr= 1--       4.523                 14.277                -13.378
 Raman2 Fr= 1--       7.091                  9.596                 16.148
 ROA2   Fr= 1--      14.346                146.366                -90.089
 CID2   Fr= 1--       2.023                 15.253                 -5.579
 Raman3 Fr= 1--      14.182                 19.191                 32.295
 ROA3   Fr= 1--     148.835                533.251               -504.099
 CID3   Fr= 1--      10.494                 27.786                -15.609
 RC180  Fr= 1--      -0.138                  0.028                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      0.4006                25.2711                 5.0284
  Dep-P Fr= 1--      0.7386                 0.1811                 0.7273
  Dep-U Fr= 1--      0.8496                 0.3067                 0.8422
 Alpha2 Fr= 1--      0.0001                 0.3607                 0.0020
 Beta2  Fr= 1--      0.0567                 1.2917                 0.7058
 AlphaG Fr= 1--      0.0007                 0.2254                -0.0302
 Gamma2 Fr= 1--      0.1901                -0.1325                 2.9038
 Delta2 Fr= 1--      0.0646                 0.2202                 1.9845
 Raman1 Fr= 1--       1.602                101.084                 20.114
 ROA1   Fr= 1--      20.315                 -5.672                342.272
 CID1   Fr= 1--      12.678                 -0.056                 17.017
 Raman2 Fr= 1--       0.681                 15.500                  8.469
 ROA2   Fr= 1--       4.045                 -4.942                 53.816
 CID2   Fr= 1--       5.943                 -0.319                  6.354
 Raman3 Fr= 1--       1.361                 31.000                 16.939
 ROA3   Fr= 1--      20.315                 -5.672                342.272
 CID3   Fr= 1--      14.922                 -0.183                 20.206
 RC180  Fr= 1--       0.699                 -0.387                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      2.0757               471.5593                 2.0673
  Dep-P Fr= 1--      0.1170                 0.2179                 0.0943
  Dep-U Fr= 1--      0.2094                 0.3578                 0.1723
 Alpha2 Fr= 1--      0.0349                 6.1042                 0.0367
 Beta2  Fr= 1--      0.0724                28.1245                 0.0594
 AlphaG Fr= 1--     -0.0072                -0.4442                -0.0296
 Gamma2 Fr= 1--     -0.4328                 0.4556                -0.3329
 Delta2 Fr= 1--     -0.3825                 2.3702                -0.1316
 Raman1 Fr= 1--       8.303               1886.237                  8.269
 ROA1   Fr= 1--     -53.789                119.588                -36.171
 CID1   Fr= 1--      -6.478                  0.063                 -4.374
 Raman2 Fr= 1--       0.869                337.494                  0.712
 ROA2   Fr= 1--      -7.327                 -8.026                 -6.937
 CID2   Fr= 1--      -8.428                 -0.024                 -9.738
 Raman3 Fr= 1--       1.739                674.988                  1.425
 ROA3   Fr= 1--     -53.789                119.588                -36.171
 CID3   Fr= 1--     -30.935                  0.177                -25.389
 RC180  Fr= 1--      -0.581                 -0.284                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    258.1595               147.7801                 7.8248
  Dep-P Fr= 1--      0.2140                 0.2204                 0.6964
  Dep-U Fr= 1--      0.3525                 0.3612                 0.8210
 Alpha2 Fr= 1--      3.3777                 1.9003                 0.0073
 Beta2  Fr= 1--     15.1664                 8.8952                 1.0708
 AlphaG Fr= 1--     -0.2173                -0.4523                -0.0038
 Gamma2 Fr= 1--     -2.4191                -2.3589                 0.6531
 Delta2 Fr= 1--      0.6172                -0.0661                 0.4444
 Raman1 Fr= 1--    1032.638                591.120                 31.299
 ROA1   Fr= 1--    -212.480               -228.567                 76.913
 CID1   Fr= 1--      -0.206                 -0.387                  2.457
 Raman2 Fr= 1--     181.996                106.742                 12.849
 ROA2   Fr= 1--     -62.996                -56.084                 12.118
 CID2   Fr= 1--      -0.346                 -0.525                  0.943
 Raman3 Fr= 1--     363.993                213.484                 25.698
 ROA3   Fr= 1--    -212.480               -228.567                 76.913
 CID3   Fr= 1--      -0.584                 -1.071                  2.993
 RC180  Fr= 1--      -0.295                 -0.278                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      5.7735                10.0299                 4.6424
  Dep-P Fr= 1--      0.7497                 0.7496                 0.7298
  Dep-U Fr= 1--      0.8570                 0.8569                 0.8438
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0016
 Beta2  Fr= 1--      0.8246                 1.4324                 0.6529
 AlphaG Fr= 1--     -0.0003                -0.0065                 0.0344
 Gamma2 Fr= 1--      0.3284                 0.0030                 0.4758
 Delta2 Fr= 1--     -0.5600                 0.0339                 1.6729
 Raman1 Fr= 1--      23.094                 40.120                 18.570
 ROA1   Fr= 1--      13.602                  1.377                 99.211
 CID1   Fr= 1--       0.589                  0.034                  5.343
 Raman2 Fr= 1--       9.895                 17.189                  7.834
 ROA2   Fr= 1--      12.361                 -0.198                 -1.964
 CID2   Fr= 1--       1.249                 -0.012                 -0.251
 Raman3 Fr= 1--      19.791                 34.377                 15.669
 ROA3   Fr= 1--      13.602                  1.377                 99.211
 CID3   Fr= 1--       0.687                  0.040                  6.332
 RC180  Fr= 1--       0.714                  0.714                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      2.9350               140.7360                 2.8051
  Dep-P Fr= 1--      0.6449                 0.2349                 0.2645
  Dep-U Fr= 1--      0.7842                 0.3804                 0.4183
 Alpha2 Fr= 1--      0.0056                 1.7394                 0.0319
 Beta2  Fr= 1--      0.3836                 8.9234                 0.1956
 AlphaG Fr= 1--      0.0001                -0.1522                -0.0435
 Gamma2 Fr= 1--     -0.0533                -0.3182                -0.6804
 Delta2 Fr= 1--     -0.1098                 0.3856                 0.2456
 Raman1 Fr= 1--      11.740                562.944                 11.220
 ROA1   Fr= 1--      -8.628                -18.212                -57.464
 CID1   Fr= 1--      -0.735                 -0.032                 -5.121
 Raman2 Fr= 1--       4.603                107.081                  2.347
 ROA2   Fr= 1--      -0.401                -10.723                -18.295
 CID2   Fr= 1--      -0.087                 -0.100                 -7.796
 Raman3 Fr= 1--       9.206                214.163                  4.694
 ROA3   Fr= 1--      -8.628                -18.212                -57.464
 CID3   Fr= 1--      -0.937                 -0.085                -12.243
 RC180  Fr= 1--       0.568                 -0.239                 -0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     46.8337                 9.4091               183.4403
  Dep-P Fr= 1--      0.2330                 0.4891                 0.4493
  Dep-U Fr= 1--      0.3780                 0.6569                 0.6200
 Alpha2 Fr= 1--      0.5818                 0.0489                 1.1277
 Beta2  Fr= 1--      2.9503                 1.0301                18.9560
 AlphaG Fr= 1--      0.1878                -0.0049                -0.1916
 Gamma2 Fr= 1--     -0.1927                 0.4306                -1.5638
 Delta2 Fr= 1--      0.5166                -0.3886                -0.9440
 Raman1 Fr= 1--     187.335                 37.637                733.761
 ROA1   Fr= 1--      -1.968                 28.899               -180.336
 CID1   Fr= 1--      -0.011                  0.768                 -0.246
 Raman2 Fr= 1--      35.404                 12.361                227.472
 ROA2   Fr= 1--      -8.758                 13.442                -29.980
 CID2   Fr= 1--      -0.247                  1.087                 -0.132
 Raman3 Fr= 1--      70.808                 24.723                454.945
 ROA3   Fr= 1--      -1.968                 28.899               -180.336
 CID3   Fr= 1--      -0.028                  1.169                 -0.396
 RC180  Fr= 1--      -0.244                  0.314                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     22.4368               195.9820                91.6837
  Dep-P Fr= 1--      0.3464                 0.0530                 0.1484
  Dep-U Fr= 1--      0.5145                 0.1006                 0.2585
 Alpha2 Fr= 1--      0.1993                 3.8439                 1.4230
 Beta2  Fr= 1--      1.9241                 3.2866                 3.9501
 AlphaG Fr= 1--     -0.7783                -0.1195                -0.2840
 Gamma2 Fr= 1--     -2.8589                 0.4452                -3.8731
 Delta2 Fr= 1--      0.0168                 0.2067                -2.2458
 Raman1 Fr= 1--      89.747                783.928                366.735
 ROA1   Fr= 1--    -273.911                 49.357               -443.683
 CID1   Fr= 1--      -3.052                  0.063                 -1.210
 Raman2 Fr= 1--      23.089                 39.439                 47.401
 ROA2   Fr= 1--     -68.747                  9.033                -74.988
 CID2   Fr= 1--      -2.978                  0.229                 -1.582
 Raman3 Fr= 1--      46.178                 78.879                 94.802
 ROA3   Fr= 1--    -273.911                 49.357               -443.683
 CID3   Fr= 1--      -5.932                  0.626                 -4.680
 RC180  Fr= 1--       0.029                 -0.799                 -0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    170.2287                48.5227                36.9472
  Dep-P Fr= 1--      0.0228                 0.7498                 0.6495
  Dep-U Fr= 1--      0.0445                 0.8570                 0.7875
 Alpha2 Fr= 1--      3.5863                 0.0001                 0.0667
 Beta2  Fr= 1--      1.2635                 6.9309                 4.8494
 AlphaG Fr= 1--     -0.2414                -0.0739                 0.0310
 Gamma2 Fr= 1--      1.5380                -0.8851                -5.2105
 Delta2 Fr= 1--      3.7189                -0.3235                -1.6090
 Raman1 Fr= 1--     680.915                194.091                147.789
 ROA1   Fr= 1--     266.653                -95.326               -551.698
 CID1   Fr= 1--       0.392                 -0.491                 -3.733
 Raman2 Fr= 1--      15.162                 83.171                 58.192
 ROA2   Fr= 1--       7.160                -18.655               -112.181
 CID2   Fr= 1--       0.472                 -0.224                 -1.928
 Raman3 Fr= 1--      30.324                166.341                116.385
 ROA3   Fr= 1--     266.653                -95.326               -551.698
 CID3   Fr= 1--       8.793                 -0.573                 -4.740
 RC180  Fr= 1--      -0.911                  0.714                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    166.8256               187.0407                47.5603
  Dep-P Fr= 1--      0.4954                 0.4067                 0.2709
  Dep-U Fr= 1--      0.6625                 0.5782                 0.4263
 Alpha2 Fr= 1--      0.8417                 1.3527                 0.5312
 Beta2  Fr= 1--     18.4216                18.0244                 3.3792
 AlphaG Fr= 1--      0.5946                -0.0108                -0.2505
 Gamma2 Fr= 1--      6.8818                -0.5798                 0.7161
 Delta2 Fr= 1--     -1.5807                 0.0766                 1.2406
 Raman1 Fr= 1--     667.302                748.163                190.241
 ROA1   Fr= 1--     610.071                -53.207                108.449
 CID1   Fr= 1--       0.914                 -0.071                  0.570
 Raman2 Fr= 1--     221.059                216.293                 40.551
 ROA2   Fr= 1--     177.808                -14.527                  7.262
 CID2   Fr= 1--       0.804                 -0.067                  0.179
 Raman3 Fr= 1--     442.119                432.585                 81.102
 ROA3   Fr= 1--     610.071                -53.207                108.449
 CID3   Fr= 1--       1.380                 -0.123                  1.337
 RC180  Fr= 1--       0.325                  0.156                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     71.8880                67.9231               166.2315
  Dep-P Fr= 1--      0.6715                 0.5662                 0.1724
  Dep-U Fr= 1--      0.8035                 0.7230                 0.2941
 Alpha2 Fr= 1--      0.1000                 0.2362                 2.4267
 Beta2  Fr= 1--      9.6270                 8.1847                 8.1471
 AlphaG Fr= 1--      0.0714                -0.0053                 0.2118
 Gamma2 Fr= 1--      1.7446                 0.2447                -0.4406
 Delta2 Fr= 1--      0.5181                 0.1184                -0.6338
 Raman1 Fr= 1--     287.552                271.692                664.926
 ROA1   Fr= 1--     184.055                 27.276                -62.584
 CID1   Fr= 1--       0.640                  0.100                 -0.094
 Raman2 Fr= 1--     115.524                 98.217                 97.765
 ROA2   Fr= 1--      37.725                  4.924                 -5.505
 CID2   Fr= 1--       0.327                  0.050                 -0.056
 Raman3 Fr= 1--     231.049                196.434                195.531
 ROA3   Fr= 1--     184.055                 27.276                -62.584
 CID3   Fr= 1--       0.797                  0.139                 -0.320
 RC180  Fr= 1--       0.607                  0.446                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    192.4935                85.9154               128.9346
  Dep-P Fr= 1--      0.2201                 0.2673                 0.2253
  Dep-U Fr= 1--      0.3608                 0.4218                 0.3678
 Alpha2 Fr= 1--      2.4771                 0.9697                 1.6358
 Beta2  Fr= 1--     11.5747                 6.0401                 7.9035
 AlphaG Fr= 1--      0.0051                -0.0005                -2.3732
 Gamma2 Fr= 1--      0.1581                -0.1574               -23.6102
 Delta2 Fr= 1--      0.5125                -0.0893                 0.9724
 Raman1 Fr= 1--     769.974                343.662                515.738
 ROA1   Fr= 1--      31.578                -17.963              -2235.461
 CID1   Fr= 1--       0.041                 -0.052                 -4.334
 Raman2 Fr= 1--     138.896                 72.481                 94.842
 ROA2   Fr= 1--      -0.306                 -3.062               -574.424
 CID2   Fr= 1--      -0.002                 -0.042                 -6.057
 Raman3 Fr= 1--     277.792                144.961                189.685
 ROA3   Fr= 1--      31.578                -17.963              -2235.461
 CID3   Fr= 1--       0.114                 -0.124                -11.785
 RC180  Fr= 1--      -0.278                 -0.156                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
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                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291041D+03 -0.110446D+02 -0.991443D+01
      2  -0.110446D+02  0.177270D+03 -0.808941D+01
      3  -0.991443D+01 -0.808941D+01  0.123290D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.983996D+01  0.202340D+02 -0.160261D+02
      2  -0.245075D+02 -0.126230D+02 -0.250541D+02
      3   0.492029D+02 -0.600152D+02  0.199792D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.311404D+03 -0.943464D+02 -0.144766D+02
      2  -0.138996D+03  0.775149D+02 -0.136389D+02
      3  -0.172408D+03  0.168315D+02  0.281155D+02
      4  -0.164890D+02  0.121652D+03 -0.413302D+02
      5   0.495019D+02 -0.497516D+02 -0.534146D+02
      6  -0.230766D+02  0.418439D+02  0.270931D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.351554D+02  0.690868D+01  0.775917D+00 -0.369741D+02  0.117742D+02
      2   0.690868D+01 -0.305185D+01 -0.257677D-01  0.117742D+02 -0.113473D+02
      3   0.775917D+00 -0.257677D-01  0.263190D-01  0.679361D-01  0.124460D+01
                 6             7             8             9            10 
      1   0.679361D-01  0.937063D+01 -0.290267D+01 -0.865697D+00  0.437866D+02
      2   0.124460D+01 -0.290267D+01  0.189659D+01 -0.134785D+01 -0.941918D+01
      3   0.411175D+00 -0.865697D+00 -0.134785D+01  0.516858D+00 -0.102716D+01
                11            12            13            14            15 
      1  -0.941918D+01 -0.102716D+01  0.346461D+02 -0.104401D+02  0.110849D+00
      2   0.679709D+01 -0.694950D+00 -0.104401D+02  0.929074D+01 -0.908661D+00
      3  -0.694950D+00 -0.357009D+00  0.110849D+00 -0.908661D+00 -0.305008D+00
                16            17            18            19            20 
      1  -0.918133D+01  0.288835D+01  0.143874D+01  0.314821D+02 -0.706523D+01
      2   0.288835D+01 -0.184569D+01  0.112430D+01 -0.706523D+01  0.489655D+01
      3   0.143874D+01  0.112430D+01 -0.304143D+00 -0.464125D+00 -0.574767D+00
                21            22            23            24            25 
      1  -0.464125D+00 -0.221077D+02  0.396831D+01 -0.511799D-01  0.248718D+01
      2  -0.574767D+00  0.396831D+01 -0.534625D+01 -0.108797D+00 -0.769002D+00
      3   0.793783D-01 -0.511799D-01 -0.108797D+00 -0.170263D+01 -0.101741D+01
                26            27            28            29            30 
      1  -0.769002D+00 -0.101741D+01 -0.405923D+02  0.589251D+01  0.812288D+00
      2  -0.437734D+00 -0.262275D+01  0.589251D+01 -0.295485D+01 -0.250468D+00
      3  -0.262275D+01  0.167262D+01  0.812288D+00 -0.250468D+00 -0.203861D+01
                31            32            33            34            35 
      1   0.134442D+02 -0.175962D+01 -0.128218D+01 -0.329478D+01 -0.698310D+00
      2  -0.175962D+01  0.973064D+01 -0.148597D+01 -0.698310D+00 -0.964897D+00
      3  -0.128218D+01 -0.148597D+01  0.360191D+00 -0.556780D+01  0.113178D+01
                36            37            38            39            40 
      1  -0.556780D+01 -0.381965D+01 -0.314388D+00 -0.138882D-01  0.806989D+01
      2   0.113178D+01 -0.314388D+00 -0.945309D+01  0.146000D+01 -0.197880D+01
      3   0.424198D+00 -0.138882D-01  0.146000D+01 -0.269925D+01 -0.580288D+00
                41            42            43            44            45 
      1  -0.197880D+01 -0.580288D+00 -0.154797D+01 -0.464384D+00 -0.470066D+01
      2  -0.186186D+01  0.136265D+01 -0.464384D+00  0.240326D+01  0.302377D+01
      3   0.136265D+01  0.139808D+01 -0.470066D+01  0.302377D+01 -0.701661D+00
                46            47            48            49            50 
      1   0.912196D+01 -0.237000D+01  0.289805D+00  0.218059D+00 -0.108799D+01
      2  -0.237000D+01  0.754965D+01 -0.449175D+00 -0.108799D+01 -0.522224D-01
      3   0.289805D+00 -0.449175D+00  0.257599D+01  0.473472D+00  0.107540D+01
                51            52            53            54            55 
      1   0.473472D+00 -0.323645D+00  0.788438D+00  0.117776D+01 -0.136111D+02
      2   0.107540D+01  0.788438D+00  0.109000D+01  0.361711D+01  0.416865D+01
      3   0.100788D+01  0.117776D+01  0.361711D+01 -0.193475D+01 -0.158408D+00
                56            57            58            59            60 
      1   0.416865D+01 -0.158408D+00  0.410003D+01 -0.585675D+00 -0.654554D+00
      2  -0.103352D+02  0.989440D+00 -0.585675D+00  0.169602D+01 -0.121595D+01
      3   0.989440D+00 -0.256174D+01 -0.654554D+00 -0.121595D+01 -0.105212D+01
                61            62            63            64            65 
      1  -0.174483D+00 -0.837214D+00 -0.163007D+01 -0.259406D+01 -0.250940D+01
      2  -0.837214D+00 -0.911034D+00 -0.323520D+01 -0.250940D+01 -0.145652D+01
      3  -0.163007D+01 -0.323520D+01  0.200630D+01  0.476480D+00  0.309063D+00
                66            67            68            69            70 
      1   0.476480D+00 -0.337189D+01 -0.290003D+01  0.752013D+00  0.652173D+00
      2   0.309063D+00 -0.290003D+01 -0.507842D+01  0.991373D+00  0.683080D+00
      3  -0.491894D+00  0.752013D+00  0.991373D+00 -0.970964D+00 -0.298162D+00
                71            72            73            74            75 
      1   0.683080D+00 -0.298162D+00 -0.464760D+01  0.325029D+01 -0.247011D+00
      2   0.964701D+00 -0.415764D+00  0.325029D+01 -0.341343D+01  0.340766D+00
      3  -0.415764D+00  0.235028D+00 -0.247011D+00  0.340766D+00 -0.387314D+00
                76            77            78            79            80 
      1   0.342309D+01 -0.453114D+01  0.701170D+00 -0.348888D+00  0.802887D+00
      2  -0.453114D+01  0.780180D+01 -0.920328D+00  0.802887D+00 -0.124300D+01
      3   0.701170D+00 -0.920328D+00  0.854648D+00  0.375453D+00  0.338177D+00
                81            82            83            84            85 
      1   0.375453D+00  0.185134D+01  0.222789D+01 -0.494901D+00  0.108795D+01
      2   0.338177D+00  0.222789D+01  0.324191D+01 -0.656938D+00  0.254147D+01
      3  -0.238443D+00 -0.494901D+00 -0.656938D+00  0.463677D+00 -0.478636D+00
                86            87            88            89            90 
      1   0.254147D+01 -0.478636D+00 -0.345828D+00 -0.598690D+00  0.178589D+00
      2   0.883722D+01 -0.159275D+01 -0.598690D+00 -0.191049D+01  0.443995D+00
      3  -0.159275D+01  0.110069D+01  0.178589D+00  0.443995D+00 -0.286672D+00
                91            92            93            94            95 
      1   0.132889D+02 -0.159125D+01  0.335823D+00  0.382563D+01  0.130703D+01
      2  -0.159125D+01  0.151477D+01  0.777711D+00  0.130703D+01 -0.351174D+01
      3   0.335823D+00  0.777711D+00  0.321004D+01  0.364324D+00  0.209282D+01
                96            97            98            99           100 
      1   0.364324D+00 -0.281826D+01  0.113757D+01  0.766417D+01  0.878853D+01
      2   0.209282D+01  0.113757D+01  0.186677D+01  0.145446D+00 -0.668865D+00
      3   0.141981D+01  0.766417D+01  0.145446D+00 -0.177219D+01 -0.166975D+01
               101           102           103           104           105 
      1  -0.668865D+00 -0.166975D+01 -0.203157D+01 -0.180871D+01 -0.400358D-01
      2  -0.176767D+01 -0.503680D+00 -0.180871D+01  0.149620D+01 -0.361784D+01
      3  -0.503680D+00 -0.261360D+01 -0.400358D-01 -0.361784D+01 -0.165024D+01
               106           107           108           109           110 
      1   0.543373D+01 -0.820894D+00 -0.530603D+01  0.504977D+01  0.307222D+01
      2  -0.820894D+00 -0.256710D+01 -0.855816D+00  0.307222D+01  0.796023D+00
      3  -0.530603D+01 -0.855816D+00  0.271339D+01 -0.151300D+01 -0.466451D+00
               111           112           113           114           115 
      1  -0.151300D+01  0.293775D+00  0.108816D+01 -0.951213D+00 -0.611285D+01
      2  -0.466451D+00  0.108816D+01  0.269138D+00 -0.976762D+00 -0.984477D+00
      3  -0.133436D+01 -0.951213D+00 -0.976762D+00 -0.851178D+00 -0.345212D+01
               116           117           118           119           120 
      1  -0.984477D+00 -0.345212D+01 -0.622770D+00  0.211932D+01 -0.744920D+00
      2  -0.163309D+01 -0.845980D-01  0.211932D+01 -0.186176D+01  0.647111D-01
      3  -0.845980D-01 -0.222507D+00 -0.744920D+00  0.647111D-01 -0.114735D+01
               121           122           123           124           125 
      1   0.410976D+01 -0.232814D+01  0.231962D+00 -0.125142D+01  0.175099D+00
      2  -0.232814D+01  0.601827D+01 -0.107498D+01  0.175099D+00 -0.132581D+01
      3   0.231962D+00 -0.107498D+01  0.137783D+01 -0.148409D+01  0.109310D+01
               126           127           128           129           130 
      1  -0.148409D+01 -0.166281D+00 -0.710859D+00  0.333027D+00 -0.195301D+01
      2   0.109310D+01 -0.710859D+00  0.771437D+00 -0.287024D+00  0.130784D+00
      3  -0.495147D+00  0.333027D+00 -0.287024D+00  0.114744D+01  0.509613D+00
               131           132           133           134           135 
      1   0.130784D+00  0.509613D+00  0.434079D+00  0.747977D-01  0.174296D+00
      2  -0.412560D+01  0.223757D+01  0.747977D-01  0.159978D+01 -0.127154D+01
      3   0.223757D+01 -0.258888D+01  0.174296D+00 -0.127154D+01  0.180768D+01
               136           137           138           139           140 
      1  -0.149610D+02  0.772586D+00  0.357400D+01  0.487399D+00 -0.120852D+01
      2   0.772586D+00 -0.839781D+00 -0.265078D+00 -0.120852D+01  0.579453D-01
      3   0.357400D+01 -0.265078D+00 -0.235796D+01 -0.244993D+00  0.709112D+00
               141           142           143           144           145 
      1  -0.244993D+00  0.141075D+01  0.591125D-01 -0.133332D+01 -0.574378D-01
      2   0.709112D+00  0.591125D-01  0.142953D+00  0.127411D+00  0.871630D+00
      3   0.201231D+00 -0.133332D+01  0.127411D+00  0.370296D+00  0.802875D+00
               146           147           148           149           150 
      1   0.871630D+00  0.802875D+00  0.145591D+01  0.250772D+00 -0.218869D+00
      2   0.103605D+01  0.789223D+00  0.250772D+00  0.314470D+01  0.288665D+01
      3   0.789223D+00  0.194668D+01 -0.218869D+00  0.288665D+01  0.358136D+01
               151           152           153           154           155 
      1   0.290528D+00  0.597426D-01  0.312044D+00 -0.164644D+02 -0.440296D+01
      2   0.597426D-01  0.216851D+01  0.245221D+01 -0.440296D+01 -0.233376D+01
      3   0.312044D+00  0.245221D+01  0.462871D+01  0.581219D+00 -0.179525D+00
               156           157           158           159           160 
      1   0.581219D+00 -0.678269D+01 -0.520375D+01  0.359333D+00  0.669152D+00
      2  -0.179525D+00 -0.520375D+01 -0.384677D+01  0.349160D+00  0.334255D+00
      3  -0.222677D+01  0.359333D+00  0.349160D+00 -0.102255D+01 -0.239651D+01
               161           162           163           164           165 
      1   0.334255D+00 -0.239651D+01 -0.920257D+01 -0.240015D+01 -0.280040D+01
      2   0.947746D+00 -0.110968D+01 -0.240015D+01 -0.236572D+00  0.558664D-01
      3  -0.110968D+01  0.135648D+01 -0.280040D+01  0.558664D-01 -0.782604D+00
               166           167           168           169           170 
      1  -0.508561D+01 -0.628792D+00 -0.784564D+00 -0.884962D-01  0.650474D-01
      2  -0.628792D+00 -0.745688D+00 -0.167362D+01  0.650474D-01 -0.357173D+00
      3  -0.784564D+00 -0.167362D+01 -0.166340D+01 -0.687189D+00 -0.111502D+01
               171           172           173           174           175 
      1  -0.687189D+00  0.869118D+01  0.201605D+01  0.988429D+00  0.570621D+01
      2  -0.111502D+01  0.201605D+01  0.595273D+00  0.277667D+00  0.784164D+00
      3  -0.686323D+01  0.988429D+00  0.277667D+00  0.221299D+01  0.951177D+00
               176           177           178           179           180 
      1   0.784164D+00  0.951177D+00  0.339744D+01  0.459500D+00  0.161633D+01
      2   0.331200D+00 -0.486595D+00  0.459500D+00 -0.935317D+00  0.512041D+00
      3  -0.486595D+00  0.120957D+01  0.161633D+01  0.512041D+00 -0.100962D+01
               181           182           183           184           185 
      1   0.114023D+02 -0.514132D+00 -0.188984D+00 -0.721688D+01  0.220203D+01
      2  -0.514132D+00  0.106113D+02 -0.178679D+01  0.220203D+01  0.372400D+01
      3  -0.188984D+00 -0.178679D+01  0.282451D+01  0.704533D+00 -0.184893D+01
               186           187           188           189           190 
      1   0.704533D+00  0.110411D+01  0.258585D+00  0.434166D+01  0.355117D+02
      2  -0.184893D+01  0.258585D+00 -0.286028D+01 -0.306637D+01 -0.613117D+01
      3  -0.153244D+01  0.434166D+01 -0.306637D+01  0.738681D+00 -0.353508D+00
               191           192           193           194           195 
      1  -0.613117D+01 -0.353508D+00 -0.208731D+02  0.201956D+01  0.209030D+01
      2   0.562597D+01  0.239554D-01  0.201956D+01 -0.144060D+02  0.205088D+01
      3   0.239554D-01  0.419013D+01  0.209030D+01  0.205088D+01 -0.162849D+01
               196           197           198           199           200 
      1   0.231139D+01  0.110090D+01  0.612607D+01 -0.364230D+02  0.846136D+01
      2   0.110090D+01  0.162871D+01 -0.208557D+01  0.846136D+01 -0.859617D+01
      3   0.612607D+01 -0.208557D+01 -0.106392D+00  0.803891D+00  0.132975D+01
               201           202           203           204           205 
      1   0.803891D+00  0.240101D+02 -0.337211D+01 -0.623369D+00 -0.180382D+01
      2   0.132975D+01 -0.337211D+01  0.712351D+01  0.610701D-01  0.377238D+00
      3  -0.216824D+00 -0.623369D+00  0.610701D-01  0.283158D+01  0.383166D+00
               206           207           208           209           210 
      1   0.377238D+00  0.383166D+00 -0.902818D+01  0.293248D+00  0.391027D+00
      2   0.661415D+00  0.326658D+01  0.293248D+00 -0.228183D+01  0.241100D+00
      3   0.326658D+01 -0.194784D+01  0.391027D+00  0.241100D+00 -0.799622D+00
               211           212           213           214           215 
      1  -0.339711D+00  0.148364D+01 -0.101819D+00  0.667938D+00 -0.255669D+00
      2   0.148364D+01 -0.206610D+01  0.427934D+00 -0.255669D+00  0.390878D+00
      3  -0.101819D+00  0.427934D+00  0.115349D+01  0.233111D+00 -0.479220D+00
               216           217           218           219           220 
      1   0.233111D+00 -0.282874D+01  0.231494D+01 -0.267394D+00  0.401051D+01
      2  -0.479220D+00  0.231494D+01  0.208878D+01 -0.619924D+00 -0.108700D+01
      3  -0.120476D+00 -0.267394D+00 -0.619924D+00  0.142298D+01 -0.743634D+00
               221           222           223           224           225 
      1  -0.108700D+01 -0.743634D+00 -0.750365D+00 -0.529599D+00 -0.111137D+01
      2   0.811897D-01 -0.184928D+01 -0.529599D+00 -0.168616D+01 -0.353916D+01
      3  -0.184928D+01 -0.562354D+01 -0.111137D+01 -0.353916D+01  0.257243D+01
               226           227           228           229           230 
      1  -0.149585D+01 -0.182638D+01  0.431883D+00 -0.653818D+00 -0.200659D+01
      2  -0.182638D+01 -0.327479D+01  0.650738D+00 -0.200659D+01 -0.853578D+01
      3   0.431883D+00  0.650738D+00 -0.462187D+00  0.413309D+00  0.152412D+01
               231           232           233           234           235 
      1   0.413309D+00  0.272434D+00  0.552453D+00  0.114168D+00  0.483435D+01
      2   0.152412D+01  0.552453D+00  0.174948D+01 -0.550411D+00 -0.382867D+01
      3  -0.111668D+01  0.114168D+00 -0.550411D+00  0.311337D+00  0.362032D+00
               236           237           238           239           240 
      1  -0.382867D+01  0.362032D+00 -0.425569D+01  0.524165D+01 -0.812211D+00
      2   0.402229D+01 -0.377145D+00  0.524165D+01 -0.805044D+01  0.967544D+00
      3  -0.377145D+00  0.561768D+00 -0.812211D+00  0.967544D+00 -0.933918D+00
               241           242           243           244           245 
      1   0.455759D+00 -0.837494D+00 -0.228195D+00  0.286900D+01  0.261231D+01
      2  -0.837494D+00  0.122823D+01 -0.344244D+00  0.261231D+01  0.142327D+01
      3  -0.228195D+00 -0.344244D+00  0.263445D+00 -0.640965D+00 -0.387560D+00
               246           247           248           249           250 
      1  -0.640965D+00  0.397597D+01  0.306807D+01 -0.767934D+00 -0.929346D+00
      2  -0.387560D+00  0.306807D+01  0.517438D+01 -0.106364D+01 -0.745242D+00
      3   0.330529D+00 -0.767934D+00 -0.106364D+01  0.795877D+00  0.279556D+00
               251           252           253           254           255 
      1  -0.745242D+00  0.279556D+00 -0.708537D+00 -0.333072D+00 -0.639029D+00
      2  -0.114409D+01  0.129424D+00 -0.333072D+00 -0.182213D+00  0.814400D-01
      3   0.129424D+00 -0.139285D+00 -0.639029D+00  0.814400D-01 -0.107109D+01
               256           257           258           259           260 
      1   0.446132D+00  0.120340D+01 -0.796710D+00 -0.321913D+01 -0.113628D+01
      2   0.120340D+01  0.146201D+01 -0.149254D+01 -0.113628D+01 -0.137130D+01
      3  -0.796710D+00 -0.149254D+01  0.244988D+01  0.242333D+01  0.215777D+01
               261           262           263           264           265 
      1   0.242333D+01  0.156066D+02 -0.110761D+01 -0.685719D+00 -0.364346D+01
      2   0.215777D+01 -0.110761D+01  0.998000D+00  0.113314D+00  0.148878D+01
      3  -0.652159D+01 -0.685719D+00  0.113314D+00  0.113677D+01  0.261421D+00
               266           267           268           269           270 
      1   0.148878D+01  0.261421D+00 -0.211134D+00  0.108751D+00  0.158943D+01
      2  -0.816593D+00  0.685900D-01  0.108751D+00  0.149767D+00  0.142456D+00
      3   0.685900D-01 -0.138807D+00  0.158943D+01  0.142456D+00 -0.342308D+00
               271           272           273           274           275 
      1   0.945740D-01  0.211616D+00  0.950470D+00  0.197856D+01  0.237499D+01
      2   0.211616D+00  0.711192D-01  0.205025D-01  0.237499D+01  0.355171D+01
      3   0.950470D+00  0.205025D-01 -0.581010D+00  0.114077D+01  0.226717D+01
               276           277           278           279 
      1   0.114077D+01  0.344446D+01  0.165413D+01  0.165075D+01
      2   0.226717D+01  0.165413D+01  0.230439D+01  0.241762D+01
      3   0.262755D+01  0.165075D+01  0.241762D+01  0.338880D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314393D+01  0.159855D+01 -0.148777D+01  0.343210D+01 -0.184397D+01
      2   0.703502D+01  0.279537D+01 -0.118138D+01  0.777354D+01 -0.460700D+01
      3   0.838961D+01  0.194136D+02 -0.424075D+01  0.245918D+02 -0.209213D+02
                 6             7             8             9            10 
      1   0.512841D+00 -0.521429D+01  0.826489D+01 -0.126614D+01 -0.593181D+00
      2   0.270988D+01 -0.195023D+02  0.368331D+01  0.132252D+00 -0.422542D+01
      3   0.242378D+01 -0.566176D+00  0.120665D+01  0.747711D+00  0.285458D+02
                11            12            13            14            15 
      1   0.293452D+01 -0.137533D+01 -0.118132D+01  0.109658D+01  0.147992D+01
      2   0.383726D+01 -0.645117D+01 -0.563244D+00 -0.360029D+01  0.235066D+00
      3   0.173432D+02 -0.355974D+01  0.478255D+02 -0.314299D+02  0.302189D+01
                16            17            18            19            20 
      1  -0.593444D+01  0.849449D+01 -0.161826D+01 -0.360633D+01 -0.268343D+00
      2  -0.184979D+02  0.375939D+01  0.105924D+01 -0.794345D+01 -0.236154D+01
      3  -0.771755D+01  0.349619D+01 -0.252102D+00 -0.459599D+01 -0.210843D+02
                21            22            23            24            25 
      1   0.970433D+00  0.359614D-01 -0.153841D+00 -0.162114D+01 -0.660173D+01
      2   0.104992D+01  0.116671D+01  0.148974D+01  0.842642D+00 -0.170623D+02
      3   0.422851D+01 -0.220049D+01  0.502313D+01 -0.159186D+01  0.527414D+01
                26            27            28            29            30 
      1   0.414213D+01 -0.929653D+00  0.309060D+00  0.119654D+01  0.261787D+00
      2   0.732698D+01 -0.895100D+00  0.410416D+01  0.113852D+01  0.104708D+01
      3  -0.180209D+01 -0.920237D+00 -0.194325D+02  0.905736D+01 -0.915840D+00
                31            32            33            34            35 
      1   0.434061D+01  0.365256D+01  0.131364D+01  0.303690D+01  0.114627D+02
      2  -0.116966D+00  0.604297D+00  0.581093D+00 -0.123578D+02  0.856447D+00
      3   0.264576D+02 -0.138912D+01 -0.209855D+01 -0.148918D+01 -0.246286D+01
                36            37            38            39            40 
      1  -0.206094D+01  0.792978D+00 -0.204583D-01  0.696732D+01  0.156061D+01
      2   0.917624D+00 -0.205130D+01 -0.911397D+00  0.883584D+00 -0.209293D+01
      3  -0.207141D+01 -0.949833D+01 -0.257872D+01  0.113348D+00  0.113858D+02
                41            42            43            44            45 
      1  -0.951404D+00 -0.296389D+01  0.152496D+02  0.156823D+01 -0.591151D+00
      2  -0.269771D+01 -0.176829D+01 -0.104620D+02 -0.590813D+01  0.240085D+01
      3  -0.542971D+01  0.133994D+00 -0.279830D+01  0.110362D+01 -0.488522D+01
                46            47            48            49            50 
      1  -0.106506D+01 -0.204703D+01 -0.639327D+01 -0.210400D+01  0.316548D+00
      2   0.197629D+01 -0.311526D+01  0.186337D+01 -0.409947D+01  0.453345D+01
      3   0.214711D+02 -0.226139D+02  0.339956D+01 -0.505843D+01  0.212517D+02
                51            52            53            54            55 
      1  -0.299480D+01 -0.101344D+02 -0.159109D+01  0.319243D+01  0.145416D+01
      2  -0.904709D+00 -0.145766D+02  0.159176D+01  0.115443D+01  0.570833D+01
      3  -0.245087D+01  0.349388D+01 -0.179636D+01  0.468271D+01  0.302032D+02
                56            57            58            59            60 
      1  -0.388712D+01 -0.677548D+01 -0.241312D+01  0.113985D+01 -0.252924D+01
      2  -0.346959D+01 -0.476730D+01 -0.533466D+01  0.305749D+01 -0.223685D+01
      3  -0.971454D+01  0.189530D+01 -0.493907D+01  0.205807D+02 -0.724616D+00
                61            62            63            64            65 
      1  -0.109057D+02 -0.785254D+00  0.219667D+01 -0.629092D+00 -0.500249D+00
      2  -0.192636D+02 -0.206886D+01  0.519960D+01  0.116452D+01  0.853075D+00
      3   0.389464D+01 -0.191251D+00  0.113422D+02  0.144228D+01 -0.421341D-01
                66            67            68            69            70 
      1  -0.166683D+01 -0.595701D+00 -0.140644D+01 -0.288286D+01 -0.838638D+00
      2   0.706889D+00  0.115698D+01 -0.497679D-01  0.185385D+01 -0.254043D+01
      3   0.200116D+00  0.387019D+01 -0.529254D+01  0.726729D+00  0.627181D-01
                71            72            73            74            75 
      1   0.227450D+01  0.133821D+00 -0.359262D+00  0.302360D+00  0.219682D+01
      2  -0.772724D+00  0.919018D-01 -0.821520D+00 -0.176837D-01  0.134633D+01
      3   0.790449D+00  0.406624D+00 -0.827255D+01  0.163622D+01 -0.176646D-01
                76            77            78            79            80 
      1  -0.117447D+01  0.863110D+00 -0.406372D+01 -0.290856D+01  0.171071D+01
      2  -0.435750D+00  0.656431D+00 -0.234954D+01 -0.199639D+01 -0.123802D-01
      3   0.393104D+01  0.132692D+01  0.393512D+00  0.463373D+00 -0.385364D+00
                81            82            83            84            85 
      1   0.560972D+00  0.764892D+00  0.542182D+00 -0.209121D+01  0.777994D+00
      2   0.428500D+00  0.100920D+01  0.477502D+00  0.999405D+00  0.711079D+00
      3   0.997560D+00  0.721377D+01  0.329233D+01 -0.117330D+01  0.546982D+01
                86            87            88            89            90 
      1   0.145077D+01 -0.461941D+01  0.107231D+01  0.216035D+01  0.373922D+00
      2   0.600025D+00  0.143003D+01 -0.113699D+01  0.521143D+00 -0.560239D+00
      3   0.348657D+01 -0.117214D+01 -0.129549D+01 -0.141219D+01 -0.487119D+00
                91            92            93            94            95 
      1   0.290912D+01  0.112483D+01 -0.192144D+01  0.510786D+01 -0.654476D+00
      2  -0.615281D+01 -0.202307D+01 -0.731610D+01 -0.257459D+01 -0.931219D+01
      3   0.104851D+02  0.642061D+00  0.251460D+01  0.206517D+02 -0.179477D+02
                96            97            98            99           100 
      1  -0.218194D+01 -0.265476D+01  0.536488D+01  0.138917D+01  0.119835D+01
      2  -0.334897D+01 -0.331253D+02 -0.691073D+00  0.401067D+01 -0.127932D+02
      3   0.848154D+01  0.680601D-01  0.111963D+02  0.844348D+01  0.460836D+00
               101           102           103           104           105 
      1  -0.631480D+01  0.658358D+00 -0.280514D+01  0.451747D+01 -0.116960D+02
      2   0.219121D+01  0.182037D+02 -0.349410D+00  0.192638D+02  0.675532D+01
      3  -0.139781D+02 -0.109141D+01 -0.857230D+01  0.833825D+01 -0.159958D+02
               106           107           108           109           110 
      1   0.326245D+01 -0.588488D+01 -0.544871D+01 -0.310240D+01  0.141626D+01
      2   0.166427D+02  0.351213D+01 -0.395142D+01  0.129154D+02  0.547405D+01
      3   0.542296D+01 -0.151002D+02 -0.816449D+01 -0.688931D+01  0.767038D+01
               111           112           113           114           115 
      1   0.973531D+01 -0.940610D+01 -0.725715D+01 -0.862077D+01  0.862837D+01
      2   0.443049D+01  0.658564D+01  0.418467D+01 -0.699680D+01  0.637051D+01
      3  -0.778862D+01  0.840510D+01  0.150302D+02 -0.263505D+01 -0.119713D+02
               116           117           118           119           120 
      1  -0.637683D-01  0.588198D+01  0.126587D+01 -0.111624D+01  0.107949D+01
      2  -0.208144D+01  0.381326D+01  0.302626D+01 -0.115385D+01  0.498433D+01
      3  -0.652288D+01 -0.422681D+01  0.887736D+01 -0.630631D+01 -0.112772D+00
               121           122           123           124           125 
      1  -0.133671D+01  0.251403D+01 -0.319430D+01  0.858860D+00 -0.446524D+00
      2  -0.163910D+01  0.514212D+01 -0.515758D+01  0.305344D+01 -0.362961D+01
      3  -0.135497D+01  0.212003D+02 -0.414450D+01 -0.906434D+00 -0.515488D+01
               126           127           128           129           130 
      1   0.756018D+00 -0.250773D+01  0.275257D+01 -0.787370D+00  0.114432D+01
      2   0.209973D+01 -0.276218D+01  0.311740D+01 -0.448024D+01  0.299170D+01
      3   0.257274D+01 -0.472398D+01  0.389922D+01 -0.148560D+01  0.364703D+01
               131           132           133           134           135 
      1  -0.112935D+02  0.351265D+01 -0.348278D+00  0.513451D+01 -0.285500D+01
      2  -0.102511D+02  0.906654D+01 -0.247033D+01  0.485441D+01 -0.704709D+01
      3  -0.175586D+02  0.936865D+01 -0.456659D-01  0.616230D+01 -0.502349D+01
               136           137           138           139           140 
      1  -0.137024D+01 -0.251403D+01  0.825969D+00 -0.235274D+01 -0.776748D+00
      2   0.116305D+02 -0.134234D+00  0.719421D+01  0.287473D+00 -0.939823D+00
      3  -0.441880D+01 -0.599078D+01  0.736119D+00 -0.365872D+01 -0.749370D+00
               141           142           143           144           145 
      1   0.448359D+00 -0.335122D-01  0.143232D+01  0.122860D+00  0.187664D+01
      2  -0.352240D+00  0.162853D+01  0.147435D+00  0.858865D+00 -0.513218D+01
      3   0.261351D+01 -0.561608D+00  0.272534D+01 -0.316397D+00  0.387758D+01
               146           147           148           149           150 
      1   0.321263D+01  0.197345D+00  0.186837D+01  0.621059D+01  0.265368D+01
      2  -0.468556D+01 -0.829464D+01 -0.318778D+01 -0.123212D+02 -0.133524D+02
      3   0.456038D+01  0.306250D+01  0.404210D+01  0.115817D+02  0.104689D+02
               151           152           153           154           155 
      1  -0.206241D+00  0.519141D+01  0.253591D+01  0.354180D+01  0.619991D+00
      2  -0.444765D+01 -0.987900D+01 -0.178055D+02 -0.115049D+02 -0.202994D+01
      3   0.171279D+00  0.792163D+01  0.925968D+01 -0.839091D+01 -0.197368D+02
               156           157           158           159           160 
      1  -0.578235D+01  0.664352D+01  0.444112D+01 -0.325042D+01 -0.347234D+01
      2   0.184371D+02 -0.139067D+01 -0.431334D+01  0.102556D+02  0.658471D+01
      3   0.319833D+00 -0.169949D+02 -0.221770D+02  0.531393D+00  0.276283D+01
               161           162           163           164           165 
      1   0.155663D+01  0.138192D+01  0.420899D+01  0.198191D+01 -0.286451D+01
      2   0.394548D+01 -0.849095D+01 -0.970870D+01 -0.459951D+01  0.156436D+01
      3   0.353048D+01 -0.304526D+01 -0.642982D+01 -0.379928D+01  0.147764D+01
               166           167           168           169           170 
      1   0.674528D+01  0.419623D+01  0.238512D+01 -0.394865D+00  0.705739D+01
      2  -0.822253D+01  0.515724D+01  0.703154D+01 -0.399790D+01  0.326267D+01
      3   0.169197D+00 -0.432625D+01 -0.856090D+01  0.323055D+01 -0.196512D+01
               171           172           173           174           175 
      1  -0.294961D+01 -0.651815D+01 -0.278482D+01  0.431910D+00 -0.769011D+01
      2   0.226733D+02  0.195221D+02  0.362012D+01 -0.577618D+01  0.792131D+01
      3  -0.380251D+01  0.211847D+01  0.226763D+01  0.150961D+01  0.738023D+01
               176           177           178           179           180 
      1  -0.247285D+01 -0.178764D+01  0.223565D-01 -0.198659D-01 -0.549293D+00
      2   0.335051D+01 -0.358952D+01 -0.244968D+01 -0.936459D+00  0.446337D+01
      3   0.104687D+01  0.274667D+00  0.135030D+01  0.651666D+00  0.753946D+00
               181           182           183           184           185 
      1  -0.188476D+00  0.219904D+01  0.696159D+01  0.266818D+01 -0.915934D+00
      2  -0.627792D+01 -0.252851D+01  0.779056D+01 -0.838648D+00 -0.757266D+01
      3  -0.274819D+02 -0.162412D+02  0.279676D+01 -0.783967D+01 -0.243307D+02
               186           187           188           189           190 
      1  -0.302637D+01  0.144273D+02  0.301652D+01 -0.227565D+01 -0.134019D+01
      2  -0.282775D+01 -0.236377D+01 -0.953621D+01  0.120534D+01 -0.455929D+01
      3   0.578607D+01  0.275352D+01  0.725329D+01 -0.176656D+01  0.779086D+01
               191           192           193           194           195 
      1   0.313910D+01 -0.583619D+00  0.273016D+01  0.216688D+01  0.454389D+01
      2   0.466455D+01  0.283286D+01  0.111837D+02  0.227407D+01 -0.388937D+01
      3   0.184075D+02 -0.422517D+01  0.404853D+02  0.208922D+02 -0.581907D+01
               196           197           198           199           200 
      1  -0.319582D+01  0.131694D+02 -0.332276D+01 -0.572543D-01 -0.193962D+01
      2   0.709660D-01 -0.548615D+01  0.118519D+01  0.116930D+01 -0.149699D+01
      3  -0.878193D+01 -0.396023D+01  0.552788D+01 -0.230848D+02 -0.933595D+01
               201           202           203           204           205 
      1   0.778372D+00 -0.173992D+01  0.102883D+01 -0.421039D+01 -0.347772D+01
      2   0.351624D+01 -0.667877D+01  0.410341D+01  0.650770D+01 -0.165548D+02
      3   0.234693D+01  0.977346D+00 -0.206931D+01 -0.203279D+01  0.509918D+01
               206           207           208           209           210 
      1   0.393289D+01  0.538968D+00  0.128162D+01 -0.278510D+01  0.720459D+00
      2   0.136921D+02 -0.484870D+01  0.384512D+01 -0.484691D+01  0.109660D+02
      3  -0.350653D+01 -0.639612D+01  0.991717D+01 -0.360191D+02  0.406921D+01
               211           212           213           214           215 
      1   0.483522D+00 -0.888712D+00 -0.627402D+01  0.259142D+01 -0.804892D+00
      2  -0.162554D+00  0.283809D+01  0.751579D+01 -0.604193D+01 -0.300831D+01
      3   0.151022D+01  0.120048D+02 -0.319644D+01  0.419294D+00  0.104243D+01
               216           217           218           219           220 
      1   0.111291D+01 -0.126366D+01  0.393521D+00 -0.116989D+01  0.233715D+01
      2  -0.115976D+01 -0.584193D+01 -0.147345D+01  0.791705D+01 -0.375408D+01
      3   0.118289D+01 -0.323370D+02 -0.315017D+01  0.374827D+01  0.673574D+01
               221           222           223           224           225 
      1   0.353592D+01  0.583306D+01  0.946570D+01  0.658670D+01 -0.151561D+01
      2  -0.797700D+01 -0.345671D+02 -0.721945D+01 -0.215033D+02  0.163443D+02
      3   0.175155D+02  0.849978D+01  0.422397D+01  0.659685D+01  0.274203D+02
               226           227           228           229           230 
      1   0.230667D+00 -0.294700D+00 -0.199985D+01  0.116991D+00 -0.684150D+00
      2   0.205237D+01  0.185698D+01 -0.256451D-01  0.141877D+01  0.358323D+01
      3   0.956719D+01  0.802799D+01 -0.205392D+01  0.708878D+01  0.177797D+02
               231           232           233           234           235 
      1  -0.419970D+01  0.136803D+01  0.218182D+01  0.315748D+00 -0.885372D+00
      2  -0.592299D+00 -0.623563D+00 -0.113257D+01  0.380571D-01 -0.104636D+01
      3  -0.361751D+01 -0.207686D+01 -0.399903D+01  0.360103D+00 -0.232652D+00
               236           237           238           239           240 
      1   0.955211D+00  0.219352D+01 -0.279518D+00 -0.767155D+00 -0.373353D+01
      2   0.137437D+00  0.253715D+01 -0.114507D+01  0.124406D+01 -0.377992D+01
      3  -0.575513D+01  0.533015D+00 -0.580208D+01  0.158683D+02 -0.138544D+01
               241           242           243           244           245 
      1  -0.297252D+01  0.155936D+01  0.544761D+00  0.200465D+00 -0.398885D-01
      2  -0.263556D+01 -0.102574D+01  0.117755D+01 -0.851502D+00 -0.821141D+00
      3   0.216483D+01 -0.244441D+01  0.160289D+01 -0.143875D+01 -0.265622D+01
               246           247           248           249           250 
      1  -0.109528D+01  0.233778D+00 -0.198449D+00 -0.278570D+01 -0.624238D+00
      2   0.116784D+01 -0.951658D+00 -0.289559D+01  0.284882D+01 -0.145533D+01
      3   0.502633D+00 -0.503773D+00 -0.135542D+02  0.243622D+01  0.583169D+00
               251           252           253           254           255 
      1   0.167534D+01  0.334262D+00 -0.152626D+00  0.625700D+00  0.144748D+01
      2  -0.863039D+00 -0.737885D-01 -0.626350D+01  0.723222D+00 -0.576482D+01
      3   0.312719D+01  0.254394D+00  0.159077D+00  0.269184D+01 -0.246364D+01
               256           257           258           259           260 
      1  -0.231548D+00 -0.318681D+00 -0.209020D+01 -0.179494D+01  0.147448D+01
      2  -0.332481D+01 -0.812342D+01  0.140668D+02  0.763038D+01  0.125340D+02
      3  -0.409852D+01 -0.121670D+02  0.994648D+01  0.406755D+01  0.103069D+02
               261           262           263           264           265 
      1   0.524373D+01  0.686198D+00 -0.578975D+00 -0.407962D+00 -0.580784D+00
      2  -0.361017D+02  0.118034D+01  0.816911D-01  0.887829D+01  0.401535D+00
      3  -0.169201D+02  0.151431D+02 -0.100731D+02 -0.910830D+00 -0.866590D+01
               266           267           268           269           270 
      1   0.156736D+00 -0.789825D+00 -0.113657D+01  0.145495D+00  0.171418D+00
      2   0.919488D+00 -0.107314D+01  0.754837D+01  0.848222D+00 -0.166303D+01
      3   0.600861D+01 -0.549083D+00 -0.873959D+00 -0.829228D+00 -0.892431D+00
               271           272           273           274           275 
      1  -0.225709D+00  0.964527D-01  0.975977D+00 -0.137569D+01 -0.265798D+01
      2   0.663767D+01  0.654515D+00 -0.260702D+01  0.526427D+01  0.116590D+02
      3  -0.291168D+01  0.152952D+01  0.639348D+00 -0.940663D+01 -0.251127D+02
               276           277           278           279 
      1  -0.481959D+01 -0.265713D+01 -0.132446D+01 -0.545872D+01
      2   0.150858D+02  0.572308D+01  0.135194D+02  0.183022D+02
      3  -0.140914D+02 -0.642181D+01 -0.155787D+02 -0.163850D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.747063D+02  0.441516D+02 -0.481851D+01 -0.741616D+02  0.276159D+01
      2   0.378778D+02 -0.305046D+02  0.423477D+01  0.386573D+02  0.710066D+01
      3   0.368285D+02 -0.136470D+02  0.583736D+00  0.355043D+02 -0.986225D+01
      4   0.245711D+02  0.108760D+02 -0.352639D+01  0.103033D+02 -0.212133D+02
      5  -0.819133D+01 -0.424024D+01 -0.391720D+00 -0.546399D+01  0.730951D+01
      6   0.246675D+01  0.218385D+01  0.292108D+01  0.410272D+01 -0.559197D+01
                 6             7             8             9            10 
      1   0.260628D+01  0.181655D+02 -0.507421D+01 -0.986374D+01  0.113565D+03
      2  -0.440304D+01 -0.840793D+01  0.205247D+01 -0.787437D+00 -0.540339D+02
      3   0.179676D+01 -0.975752D+01  0.302174D+01  0.106512D+02 -0.595311D+02
      4   0.410165D+01 -0.328278D+01  0.310447D+01 -0.708985D+00  0.134883D+02
      5   0.367597D+01  0.201231D+01 -0.137689D+01  0.320626D+00  0.172301D+00
      6  -0.233956D+00  0.162533D+01  0.437990D+01  0.936117D+00 -0.714585D+01
                11            12            13            14            15 
      1   0.164542D+01 -0.866052D+01  0.592407D+02 -0.360701D+02  0.194655D+01
      2  -0.519283D+01  0.482233D+01 -0.219776D+02  0.262713D+02 -0.492698D+01
      3   0.354740D+01  0.383819D+01 -0.372631D+02  0.979882D+01  0.298043D+01
      4   0.140549D+02 -0.542619D+01 -0.314963D+02  0.167611D+02 -0.747641D+00
      5  -0.790100D+01 -0.110956D+02  0.943922D+01 -0.225865D+01 -0.574399D+00
      6   0.433718D+01  0.191126D+01 -0.400181D+01 -0.119431D+01 -0.278654D+01
                16            17            18            19            20 
      1  -0.187090D+02  0.578798D+01 -0.497840D+01  0.393644D+02 -0.494600D+02
      2   0.851399D+01 -0.387427D+01 -0.235875D+01 -0.200808D+02  0.365943D+02
      3   0.101950D+02 -0.191371D+01  0.733715D+01 -0.192837D+02  0.128657D+02
      4   0.605774D+01 -0.252755D+01  0.494606D+01 -0.271994D+02 -0.128763D+02
      5   0.845732D+00  0.399698D+01  0.103732D+01  0.109610D+02  0.453762D+01
      6   0.514405D+01  0.417368D+01  0.161567D+01 -0.212112D+01 -0.106348D+01
                21            22            23            24            25 
      1   0.638247D+01  0.782620D+01  0.323362D+02 -0.520290D+01 -0.408491D+01
      2  -0.528836D+01 -0.195283D+02 -0.319931D+02  0.690009D+01  0.652881D+01
      3  -0.109411D+01  0.117021D+02 -0.343115D+00 -0.169720D+01 -0.244390D+01
      4   0.363492D+01  0.146395D+02 -0.277718D+01  0.249790D+01 -0.612753D+00
      5  -0.235674D+01 -0.729399D+01  0.308263D+01  0.617856D+01  0.469457D+01
      6   0.953699D-01  0.857885D+01  0.557449D+01  0.226318D+01  0.245514D+01
                26            27            28            29            30 
      1  -0.137010D+01 -0.669306D+01  0.626703D+01 -0.897557D+00  0.220153D+01
      2   0.523383D+01 -0.714382D+01 -0.193705D+02 -0.209611D+01 -0.802065D+00
      3  -0.386372D+01  0.138369D+02  0.131035D+02  0.299367D+01 -0.139947D+01
      4   0.527881D+01  0.375394D+01 -0.260437D+01  0.131681D+02  0.139500D+00
      5   0.843086D+01 -0.229223D+01 -0.125534D+02  0.216239D+01  0.866252D+01
      6   0.437374D+01 -0.227757D+00  0.934577D+01 -0.120679D+01 -0.292183D+01
                31            32            33            34            35 
      1   0.137093D+02 -0.666696D+02  0.890994D+01 -0.306945D+01  0.111726D+02
      2  -0.417840D+01  0.625725D+02 -0.129038D+02 -0.277952D-01 -0.118696D+02
      3  -0.953093D+01  0.409709D+01  0.399383D+01  0.309725D+01  0.697002D+00
      4  -0.388591D+02 -0.126729D+02  0.505136D+01  0.135634D+02  0.320379D+01
      5   0.121871D+02  0.562634D+01 -0.125543D+01  0.281892D+02 -0.564488D+01
      6  -0.135169D+01 -0.628599D+01 -0.287974D+01 -0.633327D+01  0.603729D+01
                36            37            38            39            40 
      1  -0.109977D+01 -0.352885D+01  0.702895D+02 -0.129759D+02 -0.196597D+02
      2  -0.637853D+01 -0.362777D+01 -0.543078D+02  0.667768D+01  0.208738D+02
      3   0.747830D+01  0.715662D+01 -0.159817D+02  0.629823D+01 -0.121409D+01
      4  -0.561613D+00  0.231864D+02 -0.101655D+02 -0.969111D+00  0.191554D+02
      5  -0.397511D+00 -0.343240D+01 -0.418538D+01  0.330177D+01  0.285914D+01
      6   0.481097D+01 -0.340685D+01  0.339681D+01 -0.129393D+02 -0.999719D+01
                41            42            43            44            45 
      1   0.283237D+02 -0.845075D+01  0.551324D+01 -0.146611D+02 -0.131388D+02
      2  -0.317168D+02  0.779665D+01 -0.972834D+01  0.162069D+02  0.234189D+01
      3   0.339305D+01  0.654107D+00  0.421510D+01 -0.154585D+01  0.107969D+02
      4   0.166580D+02 -0.728085D+01 -0.944445D+00 -0.590268D+01 -0.658389D+01
      5  -0.857169D+01 -0.659653D+01  0.179628D+02 -0.732297D+01  0.367974D+01
      6   0.914386D+01  0.609797D+01 -0.187061D+02  0.162925D+02  0.695623D+00
                46            47            48            49            50 
      1   0.405031D+01 -0.575369D+02  0.825063D+01  0.215637D+02  0.103557D+02
      2  -0.213040D+01  0.449378D+02 -0.304301D+01 -0.204415D+02 -0.150994D+02
      3  -0.191990D+01  0.125992D+02 -0.520761D+01 -0.112221D+01  0.474368D+01
      4  -0.200355D+02 -0.976856D+01  0.455804D+01  0.140773D+02 -0.956476D+01
      5   0.509021D+01  0.664858D+01 -0.739305D-01 -0.232518D+01  0.158556D+01
      6   0.370484D+01  0.681036D+00  0.113033D+02  0.347395D+01  0.110874D+02
                51            52            53            54            55 
      1  -0.768747D+01 -0.514280D+01 -0.311558D+01 -0.216361D+02 -0.285191D+02
      2   0.888962D+01  0.658423D+01  0.984051D+01  0.843664D+01  0.123336D+02
      3  -0.120214D+01 -0.144143D+01 -0.672493D+01  0.131994D+02  0.161854D+02
      4   0.301623D+01  0.122548D+01  0.619683D+01  0.553716D+01  0.996988D+00
      5   0.108324D+01  0.526800D+01  0.234332D+01  0.293924D+00 -0.218921D+01
      6   0.582217D+01  0.517476D+01  0.209721D+02 -0.541935D+01  0.360047D+01
                56            57            58            59            60 
      1  -0.424053D+02  0.704512D+01  0.137345D+02  0.187247D+02 -0.930659D+01
      2   0.355334D+02 -0.908382D+00 -0.124260D+02 -0.199870D+02  0.932955D+01
      3   0.687188D+01 -0.613674D+01 -0.130850D+01  0.126226D+01 -0.229608D-01
      4  -0.470946D+02  0.754027D+01  0.137404D+02 -0.368335D+01 -0.107632D+01
      5   0.110818D+02 -0.118044D+02 -0.295228D+01 -0.268907D+01 -0.136625D+01
      6  -0.199042D+01  0.130805D+02  0.315843D+01  0.103443D+02  0.438291D+01
                61            62            63            64            65 
      1  -0.223196D+01 -0.606719D+01 -0.264316D+02  0.329095D+01 -0.778618D+00
      2   0.538508D+01  0.118137D+02  0.829861D+01 -0.372511D+00  0.219738D+01
      3  -0.315312D+01 -0.574647D+01  0.181330D+02 -0.291844D+01 -0.141876D+01
      4  -0.294614D+01  0.283213D+01 -0.538190D+01  0.101824D+02  0.103494D+02
      5  -0.193255D+01 -0.944223D+01  0.668869D+01 -0.210560D+01 -0.217511D+01
      6   0.641723D+01  0.178065D+02 -0.649615D+01 -0.175663D+01 -0.135766D+01
                66            67            68            69            70 
      1   0.394863D+00 -0.330280D+01 -0.139595D+02  0.305369D+01  0.807430D+00
      2  -0.406323D-01  0.558587D+01  0.169068D+02 -0.129483D+01 -0.555205D+00
      3  -0.354231D+00 -0.228307D+01 -0.294729D+01 -0.175886D+01 -0.252224D+00
      4  -0.162482D+01  0.135630D+02  0.183687D+02 -0.310484D+01 -0.264712D+01
      5   0.310942D+01 -0.366673D+01 -0.335418D+01  0.381943D+01  0.184376D+01
      6   0.162969D+01 -0.289120D+01 -0.593267D+01  0.506655D+01  0.248510D+01
                71            72            73            74            75 
      1   0.199211D+01 -0.301377D+01 -0.105952D+01  0.704415D+01 -0.825217D+00
      2  -0.175583D+01  0.241119D+01  0.103786D+02 -0.159738D+02  0.132983D+01
      3  -0.236282D+00  0.602574D+00 -0.931906D+01  0.892965D+01 -0.504616D+00
      4  -0.334936D+01  0.264292D+01 -0.218887D+02  0.220749D+02 -0.231698D+01
      5   0.119009D+01 -0.107467D+01  0.183234D+01 -0.233598D+01  0.304326D+01
      6   0.317037D+01 -0.208223D+01 -0.110815D+01  0.144801D+01 -0.310553D+01
                76            77            78            79            80 
      1   0.120761D+02 -0.286157D+02  0.357218D+01 -0.255906D+01  0.470730D+01
      2  -0.227041D+02  0.464798D+02 -0.437506D+01  0.456823D+01 -0.678228D+01
      3   0.106279D+02 -0.178641D+02  0.802881D+00 -0.200917D+01  0.207498D+01
      4   0.238314D+02 -0.328649D+02  0.370267D+01 -0.345285D+01  0.447165D+01
      5  -0.329587D+01  0.413552D+01 -0.364750D+01  0.197562D+00 -0.195493D+01
      6   0.375774D+01 -0.532252D+01  0.664729D+01  0.127670D+01  0.310065D+01
                81            82            83            84            85 
      1  -0.139088D+01 -0.566933D+01 -0.106706D+02  0.249021D+01 -0.984854D+01
      2   0.278457D+01  0.101383D+02  0.172195D+02 -0.269956D+01  0.140889D+02
      3  -0.139369D+01 -0.446894D+01 -0.654891D+01  0.209348D+00 -0.424035D+01
      4  -0.264231D+01  0.119454D+02  0.190846D+02 -0.337919D+01  0.126991D+02
      5   0.985350D+00 -0.136718D+01 -0.191239D+01  0.279833D+01 -0.137393D+01
      6  -0.192321D+01 -0.261098D+01 -0.394129D+01  0.355247D+01 -0.305041D+01
                86            87            88            89            90 
      1  -0.396563D+02  0.772735D+01  0.249186D+01  0.839071D+01 -0.202952D+01
      2   0.564132D+02 -0.856353D+01 -0.340820D+01 -0.107439D+02  0.276904D+01
      3  -0.167570D+02  0.836174D+00  0.916338D+00  0.235322D+01 -0.739515D+00
      4   0.263835D+02 -0.442549D+01 -0.319399D+01 -0.519882D+01  0.325217D+01
      5  -0.192965D+01  0.210159D+01  0.107625D+01  0.265778D+01 -0.140646D+01
      6  -0.107456D+02  0.865880D+01  0.809727D+00  0.443434D+01 -0.275740D+01
                91            92            93            94            95 
      1  -0.158059D+01  0.210561D+01 -0.134935D+02 -0.472817D+01 -0.425731D+01
      2   0.750970D+01  0.225434D+01  0.859382D+00  0.110983D+02 -0.961984D+01
      3  -0.592911D+01 -0.435995D+01  0.126342D+02 -0.637015D+01  0.138771D+02
      4  -0.365246D+01 -0.156131D+02 -0.373823D+01 -0.178127D+02  0.362583D+02
      5  -0.163207D+01 -0.486428D+01 -0.225703D+02  0.183245D+01 -0.148409D+02
      6  -0.342759D+01  0.149174D+01  0.104139D+01 -0.327315D+01  0.310190D+01
                96            97            98            99           100 
      1  -0.246383D+01  0.587549D+00 -0.441247D+01 -0.208337D+02 -0.764552D+02
      2   0.180385D+01 -0.136242D+02  0.893908D+01  0.204857D+02  0.422336D+02
      3   0.659981D+00  0.130366D+02 -0.452661D+01  0.348066D+00  0.342216D+02
      4  -0.169815D+02 -0.567831D+01 -0.176219D+02 -0.482511D+01  0.120866D+02
      5  -0.699210D+01 -0.591054D+02  0.927915D-01  0.168293D+02  0.385964D+02
      6   0.365303D+01  0.287814D+01 -0.449263D+00 -0.139454D+01 -0.394090D+01
               101           102           103           104           105 
      1   0.771742D+01  0.284997D+02  0.454174D+01  0.312950D+02  0.873758D+01
      2  -0.344150D+01 -0.677147D+01 -0.565035D+01 -0.550760D+01  0.636135D+00
      3  -0.427592D+01 -0.217282D+02  0.110861D+01 -0.257874D+02 -0.937371D+01
      4   0.181510D+02  0.118606D+01  0.168596D+02 -0.149701D+02  0.245045D+02
      5   0.731678D+00  0.124789D+02 -0.821817D+00  0.161817D+02  0.855821D+01
      6  -0.117262D+02 -0.338608D+01 -0.699699D+01  0.387925D+01 -0.200905D+02
               106           107           108           109           110 
      1   0.455242D+01  0.872777D+01  0.219164D+02 -0.687845D+02 -0.223313D+02
      2   0.155942D+02 -0.318212D+01 -0.225559D+02  0.254370D+02  0.262523D+01
      3  -0.201466D+02 -0.554566D+01  0.639450D+00  0.433476D+02  0.197061D+02
      4   0.155508D+01  0.212581D+02  0.546118D+01 -0.372252D+02 -0.215663D+02
      5   0.386893D+02  0.289397D+01 -0.291410D+02  0.499678D+01  0.526511D-01
      6  -0.369672D+01 -0.150712D+02 -0.763551D+01 -0.381811D-01  0.191247D+01
               111           112           113           114           115 
      1   0.504110D+01 -0.290910D+02 -0.136425D+02  0.861327D+01  0.299917D+02
      2  -0.305369D+01  0.561414D+01  0.479954D+01 -0.938334D+00 -0.130078D+02
      3  -0.198741D+01  0.234769D+02  0.884296D+01 -0.767494D+01 -0.169839D+02
      4   0.319809D+01 -0.966877D+01 -0.199682D+02  0.945157D+01  0.108876D+02
      5   0.436994D+00 -0.154486D+01  0.706993D+01 -0.180724D+01  0.199617D+02
      6  -0.356133D+01  0.286365D+01 -0.355669D+01  0.551716D+00  0.250451D+01
               116           117           118           119           120 
      1   0.521903D+01  0.195878D+02  0.781472D+01 -0.971265D+01  0.526674D+01
      2  -0.194562D+01 -0.249473D+01  0.278512D+01  0.224875D+00 -0.154111D+01
      3  -0.327340D+01 -0.170931D+02 -0.105998D+02  0.948777D+01 -0.372564D+01
      4   0.146190D+02  0.395999D+01 -0.211797D+02  0.211507D+02 -0.136614D+01
      5   0.262192D+01  0.378715D+01  0.641275D+01 -0.812281D+00  0.989270D+01
      6  -0.984426D+00 -0.138860D+01 -0.158047D+01  0.586559D+00 -0.970613D+00
               121           122           123           124           125 
      1  -0.162654D+02 -0.150030D+01 -0.281166D+00  0.659195D+01  0.162647D+01
      2   0.240403D+01  0.197150D+02 -0.322664D+01 -0.222124D+01 -0.476722D+01
      3   0.138613D+02 -0.182147D+02  0.350781D+01 -0.437071D+01  0.314074D+01
      4   0.238518D+02 -0.497689D+02  0.877311D+01 -0.326257D+01  0.116977D+02
      5  -0.226415D+01  0.789682D+01 -0.103991D+02  0.122559D+02 -0.819413D+01
      6   0.773574D+00 -0.277535D+01  0.456865D+01 -0.246824D+01  0.645399D+01
               126           127           128           129           130 
      1   0.269093D+01  0.160369D+01  0.679259D+01 -0.910374D+01  0.103192D+02
      2  -0.692298D+00 -0.129419D+01 -0.299008D+01  0.568731D+00 -0.671573D+01
      3  -0.199863D+01 -0.309504D+00 -0.380251D+01  0.853501D+01 -0.360349D+01
      4  -0.890977D+01  0.383185D+01 -0.474958D+01  0.172069D+01  0.982522D+00
      5   0.400977D+01 -0.251263D+01 -0.877576D+00 -0.377501D+01 -0.899132D+01
      6  -0.272770D+01 -0.336718D+01  0.473284D+01 -0.183639D+01  0.748125D+00
               131           132           133           134           135 
      1  -0.163720D+02  0.890530D+01 -0.429648D+01  0.572959D+01 -0.115050D+02
      2   0.595499D+01  0.341065D+01  0.142924D+01  0.169774D+01 -0.167247D+01
      3   0.104171D+02 -0.123160D+02  0.286724D+01 -0.742734D+01  0.131775D+02
      4   0.296774D+02 -0.158375D+02 -0.762350D+00 -0.109761D+02  0.882640D+01
      5  -0.118345D+02  0.163461D+02  0.248765D+01  0.705974D+01 -0.899993D+01
      6  -0.201094D+02  0.136409D+02  0.319993D+00  0.110048D+02 -0.740703D+01
               136           137           138           139           140 
      1   0.112792D+03 -0.606425D+01 -0.200389D+02 -0.471370D+01  0.666601D+01
      2  -0.668599D+02  0.263016D+01  0.184175D+02  0.131458D+01 -0.427381D+01
      3  -0.459325D+02  0.343409D+01  0.162137D+01  0.339912D+01 -0.239220D+01
      4  -0.137084D+02  0.119206D+02  0.354109D+01  0.149045D+02 -0.128895D+01
      5  -0.631915D+02  0.395149D+01  0.295017D+02  0.259860D+01 -0.728655D+01
      6   0.523253D+01 -0.411141D+01 -0.206668D+01 -0.457705D+01  0.273271D+00
               141           142           143           144           145 
      1   0.122716D+00 -0.928209D+01 -0.113009D+01  0.954264D+01 -0.172651D+01
      2  -0.212229D+00  0.940169D+01 -0.595703D-01 -0.755652D+01 -0.630811D+00
      3   0.895128D-01 -0.119595D+00  0.118966D+01 -0.198613D+01  0.235732D+01
      4  -0.594372D+01  0.195615D+00 -0.353934D+01 -0.138886D+01 -0.408506D+01
      5  -0.129815D+01  0.185606D+02 -0.623102D+00 -0.771239D+01 -0.305939D+01
      6   0.433467D+01 -0.712854D+00  0.279362D+01  0.117325D+01  0.481780D+01
               146           147           148           149           150 
      1  -0.106599D+02 -0.159192D+02 -0.936265D+01 -0.205333D+02 -0.175614D+02
      2   0.419027D+01  0.158654D+01  0.585679D+01  0.854836D+01  0.261354D+00
      3   0.646960D+01  0.143326D+02  0.350586D+01  0.119849D+02  0.173001D+02
      4  -0.521730D+01 -0.293435D+01  0.172969D+01 -0.200685D+02 -0.190371D+02
      5  -0.418646D+00 -0.602879D+01  0.717162D+01 -0.148297D+02 -0.206149D+02
      6   0.703681D+01  0.617701D+01  0.835952D+00  0.191636D+02  0.200069D+02
               151           152           153           154           155 
      1  -0.628591D+01 -0.133814D+02 -0.262844D+02  0.161482D+03  0.353612D+02
      2   0.233227D+01 -0.198941D+00 -0.363388D+01 -0.713218D+02 -0.100263D+02
      3   0.395364D+01  0.135804D+02  0.299183D+02 -0.901597D+02 -0.253349D+02
      4   0.187918D+01 -0.142181D+02 -0.155286D+02  0.590312D+02  0.409992D+02
      5   0.370840D+01 -0.134941D+02 -0.243288D+02  0.104343D+02  0.349974D+01
      6   0.428551D+00  0.156348D+02  0.187976D+02 -0.273773D+00  0.935895D+00
               156           157           158           159           160 
      1  -0.607611D+01  0.458062D+02  0.333673D+02 -0.428551D+01 -0.739851D+01
      2  -0.120284D+01 -0.979923D+01 -0.207294D+01 -0.578294D+00 -0.226282D+00
      3   0.727895D+01 -0.360070D+02 -0.312944D+02  0.486381D+01  0.762479D+01
      4  -0.226753D+00  0.596461D+02  0.498234D+02 -0.493211D+01 -0.438246D+01
      5   0.287338D+02  0.118723D+01 -0.242198D+00  0.135365D+02  0.305772D+02
      6   0.504878D+01  0.339014D+01  0.323484D+01  0.627085D+01  0.680567D+01
               161           162           163           164           165 
      1  -0.289913D+01  0.187119D+02  0.372528D+02  0.124633D+02  0.114743D+02
      2  -0.103073D+01 -0.103748D+02 -0.239825D+02 -0.424817D+01 -0.806270D+01
      3   0.392985D+01 -0.833713D+01 -0.132702D+02 -0.821518D+01 -0.341158D+01
      4  -0.831174D+01  0.121476D+02  0.201156D+02  0.108408D+02  0.141966D+01
      5   0.111322D+02 -0.751518D+01  0.242365D+02  0.306310D+01  0.163371D+02
      6   0.558066D+01 -0.216560D+00  0.887973D+01  0.178257D+01  0.435908D+00
               166           167           168           169           170 
      1   0.170307D+02 -0.566588D+01 -0.760570D+01 -0.536854D+01 -0.596058D+01
      2  -0.848901D+01  0.272900D+01  0.178497D+01 -0.189854D+01  0.157113D+01
      3  -0.854169D+01  0.293688D+01  0.582072D+01  0.726708D+01  0.438945D+01
      4   0.109321D+02  0.666178D+01  0.114381D+02 -0.183218D+01  0.251019D+01
      5   0.103670D+02  0.122697D+02  0.954827D+01  0.148143D+02  0.468227D+01
      6   0.249475D+01  0.665951D+01  0.120562D+02  0.465666D+00  0.985444D+01
               171           172           173           174           175 
      1  -0.275507D+02 -0.400710D+02 -0.809453D+01  0.815978D+01 -0.179411D+02
      2  -0.150773D+02  0.214190D+02  0.345964D+01  0.281499D+01  0.110193D+02
      3   0.426280D+02  0.186520D+02  0.463490D+01 -0.109748D+02  0.692184D+01
      4   0.314301D+01 -0.174541D+02 -0.743701D+01 -0.112032D+01 -0.872972D+01
      5   0.440739D+02 -0.172538D+02 -0.397347D+01 -0.114484D+02 -0.963877D+01
      6   0.810024D+01 -0.687002D+01 -0.406367D+01 -0.194359D+01 -0.342822D+01
               176           177           178           179           180 
      1  -0.816893D+01  0.223859D+01 -0.133355D+01  0.737711D+00 -0.951380D+01
      2   0.440034D+01  0.240808D+01  0.621611D+01  0.384851D+00  0.279495D+01
      3   0.376859D+01 -0.464667D+01 -0.488256D+01 -0.112256D+01  0.671884D+01
      4  -0.378404D+01  0.156862D+01 -0.416034D+01 -0.243761D+00 -0.335326D+01
      5   0.382285D+00 -0.722260D+01 -0.679625D+01 -0.169596D+01  0.345513D+00
      6  -0.237534D+01  0.211092D+01 -0.208818D+01  0.133429D+01 -0.203975D+01
               181           182           183           184           185 
      1   0.393509D+02  0.578274D+02 -0.119321D+02 -0.361212D+02  0.247958D+02
      2  -0.265736D+02 -0.429786D+02  0.386513D+01  0.251829D+02 -0.263329D+02
      3  -0.127773D+02 -0.148488D+02  0.806693D+01  0.109383D+02  0.153704D+01
      4   0.161577D+02  0.290313D+02 -0.656561D+01  0.154267D+02  0.275507D+02
      5   0.314181D+00 -0.955714D+01  0.157331D+02  0.245816D+01 -0.117728D+02
      6  -0.175112D+01  0.652111D+01 -0.138921D+02 -0.697970D+01  0.982291D+01
               186           187           188           189           190 
      1  -0.347780D+01  0.690577D+01 -0.108914D+02  0.370863D+00  0.128788D+03
      2   0.533670D+01 -0.129815D+02  0.150413D+02 -0.559707D+01 -0.713299D+02
      3  -0.185890D+01  0.607576D+01 -0.414991D+01  0.522621D+01 -0.574583D+02
      4  -0.116169D+02 -0.132932D+01 -0.141233D+02 -0.185173D+02 -0.162847D+02
      5  -0.823799D+01  0.290705D+02 -0.169107D+02  0.774359D+01  0.624514D+01
      6   0.530520D+01 -0.213351D+02  0.159033D+02  0.312157D+00  0.512925D+00
               191           192           193           194           195 
      1  -0.301293D+02 -0.889516D+00 -0.849606D+02 -0.388831D+02  0.157735D+02
      2   0.115566D+02 -0.917164D+00  0.467065D+02  0.434955D+02 -0.171780D+02
      3   0.185727D+02  0.180668D+01  0.382541D+02 -0.461241D+01  0.140450D+01
      4   0.140820D+02 -0.307728D+00 -0.390821D+02 -0.544383D+02  0.990808D+01
      5  -0.310298D+00  0.969699D+01  0.164059D+02  0.979546D+01 -0.797419D+01
      6   0.235811D+01 -0.214508D+01  0.154098D+01 -0.118774D+02 -0.537201D+01
               196           197           198           199           200 
      1   0.129796D+02  0.117628D+02  0.183938D+02 -0.118344D+03 -0.745751D+01
      2  -0.828760D+01 -0.100379D+02 -0.172845D+02  0.571398D+02  0.132928D+02
      3  -0.469200D+01 -0.172490D+01 -0.110929D+01  0.612041D+02 -0.583525D+01
      4   0.160620D+02  0.582300D+01 -0.807450D+01 -0.147240D+02 -0.256217D+02
      5   0.438430D+02 -0.140920D+02  0.258590D+01  0.333998D+01  0.104047D+02
      6  -0.399454D+01  0.775632D+01  0.367400D+01  0.675479D+01 -0.500699D+01
               201           202           203           204           205 
      1   0.862430D+01  0.110476D+03  0.322104D+01 -0.834920D+01 -0.125025D+02
      2  -0.625325D+01 -0.698528D+02 -0.140426D+02  0.841525D+01  0.975522D+01
      3  -0.237105D+01 -0.406229D+02  0.108216D+02 -0.660424D-01  0.274728D+01
      4   0.819719D+01  0.135168D+02  0.208076D+02  0.200376D+01  0.114595D+01
      5   0.387858D+01 -0.225411D+01  0.242618D+01  0.143976D+02  0.583158D+01
      6   0.686111D+00  0.376175D+01  0.957196D+01  0.685514D+01  0.175316D+01
               206           207           208           209           210 
      1   0.392615D-01 -0.110490D+02  0.752300D+01 -0.239978D+01  0.257010D+01
      2   0.303142D+01 -0.653875D+01 -0.400361D+01  0.645988D+00  0.966453D+00
      3  -0.307069D+01  0.175877D+02 -0.351938D+01  0.175380D+01 -0.353655D+01
      4   0.657563D+01  0.170037D+02 -0.179987D+02  0.114467D+02  0.242826D+01
      5   0.205082D+02 -0.939459D+01  0.126951D+01  0.155521D+01  0.192554D+02
      6   0.745300D+01  0.830688D+00  0.150503D+01 -0.728745D+00  0.924363D+00
               211           212           213           214           215 
      1  -0.129854D+02  0.110809D+01  0.300858D+01  0.352047D+01  0.120552D-01
      2   0.480851D+01  0.236099D+01  0.258908D+01 -0.139952D+01  0.121312D+01
      3   0.817685D+01 -0.346908D+01 -0.559766D+01 -0.212094D+01 -0.122518D+01
      4   0.276728D+02 -0.226445D+02  0.460997D+01 -0.226539D+01  0.163246D+01
      5  -0.630280D+00  0.602311D+01  0.131506D+02  0.106940D+02 -0.634139D+01
      6  -0.532960D+00  0.285769D+01  0.958602D+01 -0.238684D+01  0.430053D+01
               216           217           218           219           220 
      1   0.253574D+01 -0.909491D+02  0.239698D+02  0.326280D+01  0.388299D+02
      2  -0.152166D+01  0.496851D+02 -0.120898D+02 -0.925445D+00 -0.188230D+02
      3  -0.101408D+01  0.412640D+02 -0.118800D+02 -0.233735D+01 -0.200069D+02
      4  -0.688910D+01  0.284477D+02  0.155761D+02 -0.655812D+01 -0.941297D+01
      5  -0.323020D+01  0.204771D+01 -0.639958D+01  0.972345D+01 -0.859605D+01
      6  -0.249614D+01 -0.346186D+01 -0.930154D+00  0.298140D+01 -0.327673D+01
               221           222           223           224           225 
      1   0.824056D+01 -0.983932D+01 -0.121647D+01 -0.593007D+01  0.171829D+02
      2  -0.661043D+01 -0.451652D+01 -0.363653D+01 -0.316152D+01 -0.663224D+01
      3  -0.163013D+01  0.143558D+02  0.485301D+01  0.909159D+01 -0.105506D+02
      4  -0.116465D+02 -0.204053D+02 -0.688073D+01 -0.167098D+02 -0.395441D+02
      5  -0.206951D+02 -0.658132D+02 -0.106055D+02 -0.385860D+02  0.265153D+02
      6  -0.476735D+01 -0.162290D+02 -0.767796D+01 -0.108651D+02  0.779563D+01
               226           227           228           229           230 
      1  -0.975845D+01 -0.187484D+02  0.433323D+01 -0.106819D+02 -0.468348D+02
      2   0.101525D+02  0.199164D+02 -0.318122D+01  0.116817D+02  0.558676D+02
      3  -0.394056D+00 -0.116804D+01 -0.115201D+01 -0.999894D+00 -0.903277D+01
      4   0.408352D+01  0.659650D+01 -0.103379D+01  0.304358D+01 -0.394267D+01
      5  -0.463438D+00 -0.582508D+00  0.117747D+01  0.122766D+00  0.212768D+01
      6  -0.282444D+01 -0.494147D+01  0.374744D+01 -0.307387D+01 -0.134436D+02
               231           232           233           234           235 
      1   0.948711D+01  0.301026D+01  0.102437D+02 -0.224331D+01  0.180559D+02
      2  -0.834236D+01 -0.321563D+01 -0.105862D+02  0.274446D+01  0.150931D+01
      3  -0.114475D+01  0.205367D+00  0.342597D+00 -0.501147D+00 -0.195652D+02
      4   0.960482D+00 -0.333972D+00  0.696665D+00  0.104453D+01 -0.377284D+02
      5  -0.155340D+01  0.208590D+01  0.344749D-01 -0.297436D+00  0.596472D+01
      6   0.894350D+01  0.345341D-01  0.532019D+01 -0.288534D+01 -0.271065D+01
               236           237           238           239           240 
      1  -0.987004D+01  0.103934D+01 -0.677946D+01 -0.376344D+01  0.339285D+00
      2  -0.730808D+01  0.323106D-02 -0.137866D+02  0.310225D+02 -0.197477D+01
      3   0.171781D+02 -0.104257D+01  0.205660D+02 -0.272590D+02  0.163549D+01
      4   0.374066D+02 -0.373717D+01  0.439376D+02 -0.605416D+02  0.709205D+01
      5  -0.528663D+01  0.550719D+01 -0.809052D+01  0.965972D+01 -0.727511D+01
      6   0.281726D+01 -0.372219D+01  0.611533D+01 -0.810911D+01  0.706520D+01
               241           242           243           244           245 
      1  -0.264976D+00  0.906469D+00 -0.147951D+01  0.168108D+02  0.123658D+02
      2   0.345890D+01 -0.412779D+01  0.236467D+01 -0.623967D+01 -0.421423D+01
      3  -0.319393D+01  0.322132D+01 -0.885165D+00 -0.105711D+02 -0.815157D+01
      4  -0.619477D+01  0.838454D+01 -0.409065D+01  0.213190D+02  0.155207D+02
      5   0.205452D+00 -0.353008D+01  0.186435D+01 -0.451518D+01 -0.297527D+01
      6   0.320698D+00  0.363175D+01 -0.200549D+01 -0.115595D+01 -0.105903D+01
               246           247           248           249           250 
      1  -0.320419D+01  0.152769D+02  0.217789D+00 -0.815299D+00 -0.373234D+01
      2   0.158654D+01 -0.195735D+01  0.110172D+02 -0.226081D+00  0.159029D+01
      3   0.161765D+01 -0.133195D+02 -0.112350D+02  0.104138D+01  0.214205D+01
      4  -0.366351D+01  0.265526D+02  0.363365D+02 -0.725885D+01 -0.604372D+01
      5   0.301310D+01 -0.505504D+01 -0.586357D+01  0.552029D+01  0.230166D+01
      6   0.120064D+01 -0.230006D+01 -0.399157D+01  0.455499D+01  0.258048D+01
               251           252           253           254           255 
      1  -0.118037D+01 -0.585596D+00 -0.722102D+00  0.293143D+00 -0.124862D+02
      2  -0.971766D+00  0.164305D+01 -0.698964D+00 -0.533133D+00  0.387290D+01
      3   0.215214D+01 -0.105746D+01  0.142107D+01  0.239990D+00  0.861330D+01
      4  -0.800757D+01  0.212403D+01 -0.300661D+01 -0.228016D+01 -0.624463D+00
      5   0.478136D+00 -0.118161D+01 -0.752801D+01 -0.531389D-01 -0.717870D+01
      6   0.178011D+01 -0.179354D+01 -0.155491D+01  0.884251D+00 -0.283986D+01
               256           257           258           259           260 
      1   0.312884D+01 -0.121356D+00  0.185537D+01 -0.270890D+02 -0.171747D+01
      2  -0.189382D+01  0.942356D+00  0.203168D+00  0.183684D+02  0.238199D+01
      3  -0.123502D+01 -0.820999D+00 -0.205854D+01  0.872053D+01 -0.664518D+00
      4   0.146546D+02  0.177236D+02 -0.161522D+02 -0.150228D+02 -0.158242D+02
      5  -0.956766D+01 -0.149621D+02  0.270472D+02  0.289271D+02  0.226666D+02
      6  -0.346441D+01 -0.657580D+01  0.111930D+02  0.739888D+01  0.970711D+01
               261           262           263           264           265 
      1  -0.634983D+01  0.204429D+03 -0.152481D+02 -0.804731D+01 -0.421131D+02
      2  -0.107219D+02 -0.107441D+03  0.896921D+01  0.506915D+01  0.231808D+02
      3   0.170717D+02 -0.969874D+02  0.627892D+01  0.297816D+01  0.189322D+02
      4   0.243562D+02 -0.581377D+01  0.155917D+02  0.939119D+00  0.206564D+02
      5  -0.664058D+02 -0.118570D+02  0.155588D+01  0.176952D+02  0.334784D+01
      6  -0.158211D+02  0.183865D+01 -0.942284D+00  0.508981D+00 -0.141671D+01
               266           267           268           269           270 
      1   0.191861D+02  0.203769D+01 -0.278487D+01  0.582728D+00  0.158764D+02
      2  -0.943538D+01 -0.938041D+00  0.254329D+01  0.139424D+00 -0.960326D+01
      3  -0.975073D+01 -0.109964D+01  0.241580D+00 -0.722151D+00 -0.627314D+01
      4  -0.103054D+02  0.711013D+00  0.104592D+01  0.162464D+01  0.178732D+01
      5   0.356585D+00 -0.233139D+01  0.231874D+02  0.928451D+00 -0.412051D+01
      6   0.110431D+01  0.154690D+01  0.553266D+00  0.197725D+01 -0.325041D+00
               271           272           273           274           275 
      1   0.748927D+01  0.571165D+01  0.102154D+02  0.165198D+02  0.593424D+01
      2  -0.263482D+01 -0.297974D+01 -0.537467D+01 -0.457600D+01  0.645445D+01
      3  -0.485445D+01 -0.273191D+01 -0.484077D+01 -0.119438D+02 -0.123887D+02
      4   0.410076D+01  0.173867D+01  0.252655D+01  0.297262D+02  0.420887D+02
      5   0.100238D+02  0.152678D+01 -0.396385D+01  0.138496D+02  0.252019D+02
      6   0.244733D+01 -0.369070D-01 -0.191505D+01  0.510178D+01  0.874592D+01
               276           277           278           279 
      1   0.178489D+01  0.288443D+02  0.554583D+01 -0.133201D+01
      2   0.404749D+01 -0.130340D+02  0.940847D+00 -0.642200D+00
      3  -0.583237D+01 -0.158103D+02 -0.648668D+01  0.197421D+01
      4   0.254947D+02  0.216110D+02  0.266445D+02  0.270137D+02
      5   0.299960D+02  0.201894D+02  0.264471D+02  0.368233D+02
      6   0.969877D+01  0.692368D+01  0.941313D+01  0.102111D+02
 Leave Link  716 at Fri Aug 13 02:36:03 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.291041D+03 -0.110446D+02 -0.991443D+01
      2  -0.110446D+02  0.177270D+03 -0.808941D+01
      3  -0.991443D+01 -0.808941D+01  0.123290D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.983996D+01  0.202340D+02 -0.160261D+02
      2  -0.245075D+02 -0.126230D+02 -0.250541D+02
      3   0.492029D+02 -0.600152D+02  0.199792D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.311404D+03 -0.943464D+02 -0.144766D+02
      2  -0.138996D+03  0.775149D+02 -0.136389D+02
      3  -0.172408D+03  0.168315D+02  0.281155D+02
      4  -0.164890D+02  0.121652D+03 -0.413302D+02
      5   0.495019D+02 -0.497516D+02 -0.534146D+02
      6  -0.230766D+02  0.418439D+02  0.270931D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.351554D+02  0.690868D+01  0.775917D+00 -0.369741D+02  0.117742D+02
      2   0.690868D+01 -0.305185D+01 -0.257677D-01  0.117742D+02 -0.113473D+02
      3   0.775917D+00 -0.257677D-01  0.263190D-01  0.679361D-01  0.124460D+01
                 6             7             8             9            10 
      1   0.679361D-01  0.937063D+01 -0.290267D+01 -0.865697D+00  0.437866D+02
      2   0.124460D+01 -0.290267D+01  0.189659D+01 -0.134785D+01 -0.941918D+01
      3   0.411175D+00 -0.865697D+00 -0.134785D+01  0.516858D+00 -0.102716D+01
                11            12            13            14            15 
      1  -0.941918D+01 -0.102716D+01  0.346461D+02 -0.104401D+02  0.110849D+00
      2   0.679709D+01 -0.694950D+00 -0.104401D+02  0.929074D+01 -0.908661D+00
      3  -0.694950D+00 -0.357009D+00  0.110849D+00 -0.908661D+00 -0.305008D+00
                16            17            18            19            20 
      1  -0.918133D+01  0.288835D+01  0.143874D+01  0.314821D+02 -0.706523D+01
      2   0.288835D+01 -0.184569D+01  0.112430D+01 -0.706523D+01  0.489655D+01
      3   0.143874D+01  0.112430D+01 -0.304143D+00 -0.464125D+00 -0.574767D+00
                21            22            23            24            25 
      1  -0.464125D+00 -0.221077D+02  0.396831D+01 -0.511799D-01  0.248718D+01
      2  -0.574767D+00  0.396831D+01 -0.534625D+01 -0.108797D+00 -0.769002D+00
      3   0.793783D-01 -0.511799D-01 -0.108797D+00 -0.170263D+01 -0.101741D+01
                26            27            28            29            30 
      1  -0.769002D+00 -0.101741D+01 -0.405923D+02  0.589251D+01  0.812288D+00
      2  -0.437734D+00 -0.262275D+01  0.589251D+01 -0.295485D+01 -0.250468D+00
      3  -0.262275D+01  0.167262D+01  0.812288D+00 -0.250468D+00 -0.203861D+01
                31            32            33            34            35 
      1   0.134442D+02 -0.175962D+01 -0.128218D+01 -0.329478D+01 -0.698310D+00
      2  -0.175962D+01  0.973064D+01 -0.148597D+01 -0.698310D+00 -0.964897D+00
      3  -0.128218D+01 -0.148597D+01  0.360191D+00 -0.556780D+01  0.113178D+01
                36            37            38            39            40 
      1  -0.556780D+01 -0.381965D+01 -0.314388D+00 -0.138882D-01  0.806989D+01
      2   0.113178D+01 -0.314388D+00 -0.945309D+01  0.146000D+01 -0.197880D+01
      3   0.424198D+00 -0.138882D-01  0.146000D+01 -0.269925D+01 -0.580288D+00
                41            42            43            44            45 
      1  -0.197880D+01 -0.580288D+00 -0.154797D+01 -0.464384D+00 -0.470066D+01
      2  -0.186186D+01  0.136265D+01 -0.464384D+00  0.240326D+01  0.302377D+01
      3   0.136265D+01  0.139808D+01 -0.470066D+01  0.302377D+01 -0.701661D+00
                46            47            48            49            50 
      1   0.912196D+01 -0.237000D+01  0.289805D+00  0.218059D+00 -0.108799D+01
      2  -0.237000D+01  0.754965D+01 -0.449175D+00 -0.108799D+01 -0.522224D-01
      3   0.289805D+00 -0.449175D+00  0.257599D+01  0.473472D+00  0.107540D+01
                51            52            53            54            55 
      1   0.473472D+00 -0.323645D+00  0.788438D+00  0.117776D+01 -0.136111D+02
      2   0.107540D+01  0.788438D+00  0.109000D+01  0.361711D+01  0.416865D+01
      3   0.100788D+01  0.117776D+01  0.361711D+01 -0.193475D+01 -0.158408D+00
                56            57            58            59            60 
      1   0.416865D+01 -0.158408D+00  0.410003D+01 -0.585675D+00 -0.654554D+00
      2  -0.103352D+02  0.989440D+00 -0.585675D+00  0.169602D+01 -0.121595D+01
      3   0.989440D+00 -0.256174D+01 -0.654554D+00 -0.121595D+01 -0.105212D+01
                61            62            63            64            65 
      1  -0.174483D+00 -0.837214D+00 -0.163007D+01 -0.259406D+01 -0.250940D+01
      2  -0.837214D+00 -0.911034D+00 -0.323520D+01 -0.250940D+01 -0.145652D+01
      3  -0.163007D+01 -0.323520D+01  0.200630D+01  0.476480D+00  0.309063D+00
                66            67            68            69            70 
      1   0.476480D+00 -0.337189D+01 -0.290003D+01  0.752013D+00  0.652173D+00
      2   0.309063D+00 -0.290003D+01 -0.507842D+01  0.991373D+00  0.683080D+00
      3  -0.491894D+00  0.752013D+00  0.991373D+00 -0.970964D+00 -0.298162D+00
                71            72            73            74            75 
      1   0.683080D+00 -0.298162D+00 -0.464760D+01  0.325029D+01 -0.247011D+00
      2   0.964701D+00 -0.415764D+00  0.325029D+01 -0.341343D+01  0.340766D+00
      3  -0.415764D+00  0.235028D+00 -0.247011D+00  0.340766D+00 -0.387314D+00
                76            77            78            79            80 
      1   0.342309D+01 -0.453114D+01  0.701170D+00 -0.348888D+00  0.802887D+00
      2  -0.453114D+01  0.780180D+01 -0.920328D+00  0.802887D+00 -0.124300D+01
      3   0.701170D+00 -0.920328D+00  0.854648D+00  0.375453D+00  0.338177D+00
                81            82            83            84            85 
      1   0.375453D+00  0.185134D+01  0.222789D+01 -0.494901D+00  0.108795D+01
      2   0.338177D+00  0.222789D+01  0.324191D+01 -0.656938D+00  0.254147D+01
      3  -0.238443D+00 -0.494901D+00 -0.656938D+00  0.463677D+00 -0.478636D+00
                86            87            88            89            90 
      1   0.254147D+01 -0.478636D+00 -0.345828D+00 -0.598690D+00  0.178589D+00
      2   0.883722D+01 -0.159275D+01 -0.598690D+00 -0.191049D+01  0.443995D+00
      3  -0.159275D+01  0.110069D+01  0.178589D+00  0.443995D+00 -0.286672D+00
                91            92            93            94            95 
      1   0.132889D+02 -0.159125D+01  0.335823D+00  0.382563D+01  0.130703D+01
      2  -0.159125D+01  0.151477D+01  0.777711D+00  0.130703D+01 -0.351174D+01
      3   0.335823D+00  0.777711D+00  0.321004D+01  0.364324D+00  0.209282D+01
                96            97            98            99           100 
      1   0.364324D+00 -0.281826D+01  0.113757D+01  0.766417D+01  0.878853D+01
      2   0.209282D+01  0.113757D+01  0.186677D+01  0.145446D+00 -0.668865D+00
      3   0.141981D+01  0.766417D+01  0.145446D+00 -0.177219D+01 -0.166975D+01
               101           102           103           104           105 
      1  -0.668865D+00 -0.166975D+01 -0.203157D+01 -0.180871D+01 -0.400358D-01
      2  -0.176767D+01 -0.503680D+00 -0.180871D+01  0.149620D+01 -0.361784D+01
      3  -0.503680D+00 -0.261360D+01 -0.400358D-01 -0.361784D+01 -0.165024D+01
               106           107           108           109           110 
      1   0.543373D+01 -0.820894D+00 -0.530603D+01  0.504977D+01  0.307222D+01
      2  -0.820894D+00 -0.256710D+01 -0.855816D+00  0.307222D+01  0.796023D+00
      3  -0.530603D+01 -0.855816D+00  0.271339D+01 -0.151300D+01 -0.466451D+00
               111           112           113           114           115 
      1  -0.151300D+01  0.293775D+00  0.108816D+01 -0.951213D+00 -0.611285D+01
      2  -0.466451D+00  0.108816D+01  0.269138D+00 -0.976762D+00 -0.984477D+00
      3  -0.133436D+01 -0.951213D+00 -0.976762D+00 -0.851178D+00 -0.345212D+01
               116           117           118           119           120 
      1  -0.984477D+00 -0.345212D+01 -0.622770D+00  0.211932D+01 -0.744920D+00
      2  -0.163309D+01 -0.845980D-01  0.211932D+01 -0.186176D+01  0.647111D-01
      3  -0.845980D-01 -0.222507D+00 -0.744920D+00  0.647111D-01 -0.114735D+01
               121           122           123           124           125 
      1   0.410976D+01 -0.232814D+01  0.231962D+00 -0.125142D+01  0.175099D+00
      2  -0.232814D+01  0.601827D+01 -0.107498D+01  0.175099D+00 -0.132581D+01
      3   0.231962D+00 -0.107498D+01  0.137783D+01 -0.148409D+01  0.109310D+01
               126           127           128           129           130 
      1  -0.148409D+01 -0.166281D+00 -0.710859D+00  0.333027D+00 -0.195301D+01
      2   0.109310D+01 -0.710859D+00  0.771437D+00 -0.287024D+00  0.130784D+00
      3  -0.495147D+00  0.333027D+00 -0.287024D+00  0.114744D+01  0.509613D+00
               131           132           133           134           135 
      1   0.130784D+00  0.509613D+00  0.434079D+00  0.747977D-01  0.174296D+00
      2  -0.412560D+01  0.223757D+01  0.747977D-01  0.159978D+01 -0.127154D+01
      3   0.223757D+01 -0.258888D+01  0.174296D+00 -0.127154D+01  0.180768D+01
               136           137           138           139           140 
      1  -0.149610D+02  0.772586D+00  0.357400D+01  0.487399D+00 -0.120852D+01
      2   0.772586D+00 -0.839781D+00 -0.265078D+00 -0.120852D+01  0.579453D-01
      3   0.357400D+01 -0.265078D+00 -0.235796D+01 -0.244993D+00  0.709112D+00
               141           142           143           144           145 
      1  -0.244993D+00  0.141075D+01  0.591125D-01 -0.133332D+01 -0.574378D-01
      2   0.709112D+00  0.591125D-01  0.142953D+00  0.127411D+00  0.871630D+00
      3   0.201231D+00 -0.133332D+01  0.127411D+00  0.370296D+00  0.802875D+00
               146           147           148           149           150 
      1   0.871630D+00  0.802875D+00  0.145591D+01  0.250772D+00 -0.218869D+00
      2   0.103605D+01  0.789223D+00  0.250772D+00  0.314470D+01  0.288665D+01
      3   0.789223D+00  0.194668D+01 -0.218869D+00  0.288665D+01  0.358136D+01
               151           152           153           154           155 
      1   0.290528D+00  0.597426D-01  0.312044D+00 -0.164644D+02 -0.440296D+01
      2   0.597426D-01  0.216851D+01  0.245221D+01 -0.440296D+01 -0.233376D+01
      3   0.312044D+00  0.245221D+01  0.462871D+01  0.581219D+00 -0.179525D+00
               156           157           158           159           160 
      1   0.581219D+00 -0.678269D+01 -0.520375D+01  0.359333D+00  0.669152D+00
      2  -0.179525D+00 -0.520375D+01 -0.384677D+01  0.349160D+00  0.334255D+00
      3  -0.222677D+01  0.359333D+00  0.349160D+00 -0.102255D+01 -0.239651D+01
               161           162           163           164           165 
      1   0.334255D+00 -0.239651D+01 -0.920257D+01 -0.240015D+01 -0.280040D+01
      2   0.947746D+00 -0.110968D+01 -0.240015D+01 -0.236572D+00  0.558664D-01
      3  -0.110968D+01  0.135648D+01 -0.280040D+01  0.558664D-01 -0.782604D+00
               166           167           168           169           170 
      1  -0.508561D+01 -0.628792D+00 -0.784564D+00 -0.884962D-01  0.650474D-01
      2  -0.628792D+00 -0.745688D+00 -0.167362D+01  0.650474D-01 -0.357173D+00
      3  -0.784564D+00 -0.167362D+01 -0.166340D+01 -0.687189D+00 -0.111502D+01
               171           172           173           174           175 
      1  -0.687189D+00  0.869118D+01  0.201605D+01  0.988429D+00  0.570621D+01
      2  -0.111502D+01  0.201605D+01  0.595273D+00  0.277667D+00  0.784164D+00
      3  -0.686323D+01  0.988429D+00  0.277667D+00  0.221299D+01  0.951177D+00
               176           177           178           179           180 
      1   0.784164D+00  0.951177D+00  0.339744D+01  0.459500D+00  0.161633D+01
      2   0.331200D+00 -0.486595D+00  0.459500D+00 -0.935317D+00  0.512041D+00
      3  -0.486595D+00  0.120957D+01  0.161633D+01  0.512041D+00 -0.100962D+01
               181           182           183           184           185 
      1   0.114023D+02 -0.514132D+00 -0.188984D+00 -0.721688D+01  0.220203D+01
      2  -0.514132D+00  0.106113D+02 -0.178679D+01  0.220203D+01  0.372400D+01
      3  -0.188984D+00 -0.178679D+01  0.282451D+01  0.704533D+00 -0.184893D+01
               186           187           188           189           190 
      1   0.704533D+00  0.110411D+01  0.258585D+00  0.434166D+01  0.355117D+02
      2  -0.184893D+01  0.258585D+00 -0.286028D+01 -0.306637D+01 -0.613117D+01
      3  -0.153244D+01  0.434166D+01 -0.306637D+01  0.738681D+00 -0.353508D+00
               191           192           193           194           195 
      1  -0.613117D+01 -0.353508D+00 -0.208731D+02  0.201956D+01  0.209030D+01
      2   0.562597D+01  0.239554D-01  0.201956D+01 -0.144060D+02  0.205088D+01
      3   0.239554D-01  0.419013D+01  0.209030D+01  0.205088D+01 -0.162849D+01
               196           197           198           199           200 
      1   0.231139D+01  0.110090D+01  0.612607D+01 -0.364230D+02  0.846136D+01
      2   0.110090D+01  0.162871D+01 -0.208557D+01  0.846136D+01 -0.859617D+01
      3   0.612607D+01 -0.208557D+01 -0.106392D+00  0.803891D+00  0.132975D+01
               201           202           203           204           205 
      1   0.803891D+00  0.240101D+02 -0.337211D+01 -0.623369D+00 -0.180382D+01
      2   0.132975D+01 -0.337211D+01  0.712351D+01  0.610701D-01  0.377238D+00
      3  -0.216824D+00 -0.623369D+00  0.610701D-01  0.283158D+01  0.383166D+00
               206           207           208           209           210 
      1   0.377238D+00  0.383166D+00 -0.902818D+01  0.293248D+00  0.391027D+00
      2   0.661415D+00  0.326658D+01  0.293248D+00 -0.228183D+01  0.241100D+00
      3   0.326658D+01 -0.194784D+01  0.391027D+00  0.241100D+00 -0.799622D+00
               211           212           213           214           215 
      1  -0.339711D+00  0.148364D+01 -0.101819D+00  0.667938D+00 -0.255669D+00
      2   0.148364D+01 -0.206610D+01  0.427934D+00 -0.255669D+00  0.390878D+00
      3  -0.101819D+00  0.427934D+00  0.115349D+01  0.233111D+00 -0.479220D+00
               216           217           218           219           220 
      1   0.233111D+00 -0.282874D+01  0.231494D+01 -0.267394D+00  0.401051D+01
      2  -0.479220D+00  0.231494D+01  0.208878D+01 -0.619924D+00 -0.108700D+01
      3  -0.120476D+00 -0.267394D+00 -0.619924D+00  0.142298D+01 -0.743634D+00
               221           222           223           224           225 
      1  -0.108700D+01 -0.743634D+00 -0.750365D+00 -0.529599D+00 -0.111137D+01
      2   0.811897D-01 -0.184928D+01 -0.529599D+00 -0.168616D+01 -0.353916D+01
      3  -0.184928D+01 -0.562354D+01 -0.111137D+01 -0.353916D+01  0.257243D+01
               226           227           228           229           230 
      1  -0.149585D+01 -0.182638D+01  0.431883D+00 -0.653818D+00 -0.200659D+01
      2  -0.182638D+01 -0.327479D+01  0.650738D+00 -0.200659D+01 -0.853578D+01
      3   0.431883D+00  0.650738D+00 -0.462187D+00  0.413309D+00  0.152412D+01
               231           232           233           234           235 
      1   0.413309D+00  0.272434D+00  0.552453D+00  0.114168D+00  0.483435D+01
      2   0.152412D+01  0.552453D+00  0.174948D+01 -0.550411D+00 -0.382867D+01
      3  -0.111668D+01  0.114168D+00 -0.550411D+00  0.311337D+00  0.362032D+00
               236           237           238           239           240 
      1  -0.382867D+01  0.362032D+00 -0.425569D+01  0.524165D+01 -0.812211D+00
      2   0.402229D+01 -0.377145D+00  0.524165D+01 -0.805044D+01  0.967544D+00
      3  -0.377145D+00  0.561768D+00 -0.812211D+00  0.967544D+00 -0.933918D+00
               241           242           243           244           245 
      1   0.455759D+00 -0.837494D+00 -0.228195D+00  0.286900D+01  0.261231D+01
      2  -0.837494D+00  0.122823D+01 -0.344244D+00  0.261231D+01  0.142327D+01
      3  -0.228195D+00 -0.344244D+00  0.263445D+00 -0.640965D+00 -0.387560D+00
               246           247           248           249           250 
      1  -0.640965D+00  0.397597D+01  0.306807D+01 -0.767934D+00 -0.929346D+00
      2  -0.387560D+00  0.306807D+01  0.517438D+01 -0.106364D+01 -0.745242D+00
      3   0.330529D+00 -0.767934D+00 -0.106364D+01  0.795877D+00  0.279556D+00
               251           252           253           254           255 
      1  -0.745242D+00  0.279556D+00 -0.708537D+00 -0.333072D+00 -0.639029D+00
      2  -0.114409D+01  0.129424D+00 -0.333072D+00 -0.182213D+00  0.814400D-01
      3   0.129424D+00 -0.139285D+00 -0.639029D+00  0.814400D-01 -0.107109D+01
               256           257           258           259           260 
      1   0.446132D+00  0.120340D+01 -0.796710D+00 -0.321913D+01 -0.113628D+01
      2   0.120340D+01  0.146201D+01 -0.149254D+01 -0.113628D+01 -0.137130D+01
      3  -0.796710D+00 -0.149254D+01  0.244988D+01  0.242333D+01  0.215777D+01
               261           262           263           264           265 
      1   0.242333D+01  0.156066D+02 -0.110761D+01 -0.685719D+00 -0.364346D+01
      2   0.215777D+01 -0.110761D+01  0.998000D+00  0.113314D+00  0.148878D+01
      3  -0.652159D+01 -0.685719D+00  0.113314D+00  0.113677D+01  0.261421D+00
               266           267           268           269           270 
      1   0.148878D+01  0.261421D+00 -0.211134D+00  0.108751D+00  0.158943D+01
      2  -0.816593D+00  0.685900D-01  0.108751D+00  0.149767D+00  0.142456D+00
      3   0.685900D-01 -0.138807D+00  0.158943D+01  0.142456D+00 -0.342308D+00
               271           272           273           274           275 
      1   0.945740D-01  0.211616D+00  0.950470D+00  0.197856D+01  0.237499D+01
      2   0.211616D+00  0.711192D-01  0.205025D-01  0.237499D+01  0.355171D+01
      3   0.950470D+00  0.205025D-01 -0.581010D+00  0.114077D+01  0.226717D+01
               276           277           278           279 
      1   0.114077D+01  0.344446D+01  0.165413D+01  0.165075D+01
      2   0.226717D+01  0.165413D+01  0.230439D+01  0.241762D+01
      3   0.262755D+01  0.165075D+01  0.241762D+01  0.338880D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.314393D+01  0.159855D+01 -0.148777D+01  0.343210D+01 -0.184397D+01
      2   0.703502D+01  0.279537D+01 -0.118138D+01  0.777354D+01 -0.460700D+01
      3   0.838961D+01  0.194136D+02 -0.424075D+01  0.245918D+02 -0.209213D+02
                 6             7             8             9            10 
      1   0.512841D+00 -0.521429D+01  0.826489D+01 -0.126614D+01 -0.593181D+00
      2   0.270988D+01 -0.195023D+02  0.368331D+01  0.132252D+00 -0.422542D+01
      3   0.242378D+01 -0.566176D+00  0.120665D+01  0.747711D+00  0.285458D+02
                11            12            13            14            15 
      1   0.293452D+01 -0.137533D+01 -0.118132D+01  0.109658D+01  0.147992D+01
      2   0.383726D+01 -0.645117D+01 -0.563244D+00 -0.360029D+01  0.235066D+00
      3   0.173432D+02 -0.355974D+01  0.478255D+02 -0.314299D+02  0.302189D+01
                16            17            18            19            20 
      1  -0.593444D+01  0.849449D+01 -0.161826D+01 -0.360633D+01 -0.268343D+00
      2  -0.184979D+02  0.375939D+01  0.105924D+01 -0.794345D+01 -0.236154D+01
      3  -0.771755D+01  0.349619D+01 -0.252102D+00 -0.459599D+01 -0.210843D+02
                21            22            23            24            25 
      1   0.970433D+00  0.359614D-01 -0.153841D+00 -0.162114D+01 -0.660173D+01
      2   0.104992D+01  0.116671D+01  0.148974D+01  0.842642D+00 -0.170623D+02
      3   0.422851D+01 -0.220049D+01  0.502313D+01 -0.159186D+01  0.527414D+01
                26            27            28            29            30 
      1   0.414213D+01 -0.929653D+00  0.309060D+00  0.119654D+01  0.261787D+00
      2   0.732698D+01 -0.895100D+00  0.410416D+01  0.113852D+01  0.104708D+01
      3  -0.180209D+01 -0.920237D+00 -0.194325D+02  0.905736D+01 -0.915840D+00
                31            32            33            34            35 
      1   0.434061D+01  0.365256D+01  0.131364D+01  0.303690D+01  0.114627D+02
      2  -0.116966D+00  0.604297D+00  0.581093D+00 -0.123578D+02  0.856447D+00
      3   0.264576D+02 -0.138912D+01 -0.209855D+01 -0.148918D+01 -0.246286D+01
                36            37            38            39            40 
      1  -0.206094D+01  0.792978D+00 -0.204583D-01  0.696732D+01  0.156061D+01
      2   0.917624D+00 -0.205130D+01 -0.911397D+00  0.883584D+00 -0.209293D+01
      3  -0.207141D+01 -0.949833D+01 -0.257872D+01  0.113348D+00  0.113858D+02
                41            42            43            44            45 
      1  -0.951404D+00 -0.296389D+01  0.152496D+02  0.156823D+01 -0.591151D+00
      2  -0.269771D+01 -0.176829D+01 -0.104620D+02 -0.590813D+01  0.240085D+01
      3  -0.542971D+01  0.133994D+00 -0.279830D+01  0.110362D+01 -0.488522D+01
                46            47            48            49            50 
      1  -0.106506D+01 -0.204703D+01 -0.639327D+01 -0.210400D+01  0.316548D+00
      2   0.197629D+01 -0.311526D+01  0.186337D+01 -0.409947D+01  0.453345D+01
      3   0.214711D+02 -0.226139D+02  0.339956D+01 -0.505843D+01  0.212517D+02
                51            52            53            54            55 
      1  -0.299480D+01 -0.101344D+02 -0.159109D+01  0.319243D+01  0.145416D+01
      2  -0.904709D+00 -0.145766D+02  0.159176D+01  0.115443D+01  0.570833D+01
      3  -0.245087D+01  0.349388D+01 -0.179636D+01  0.468271D+01  0.302032D+02
                56            57            58            59            60 
      1  -0.388712D+01 -0.677548D+01 -0.241312D+01  0.113985D+01 -0.252924D+01
      2  -0.346959D+01 -0.476730D+01 -0.533466D+01  0.305749D+01 -0.223685D+01
      3  -0.971454D+01  0.189530D+01 -0.493907D+01  0.205807D+02 -0.724616D+00
                61            62            63            64            65 
      1  -0.109057D+02 -0.785254D+00  0.219667D+01 -0.629092D+00 -0.500249D+00
      2  -0.192636D+02 -0.206886D+01  0.519960D+01  0.116452D+01  0.853075D+00
      3   0.389464D+01 -0.191251D+00  0.113422D+02  0.144228D+01 -0.421341D-01
                66            67            68            69            70 
      1  -0.166683D+01 -0.595701D+00 -0.140644D+01 -0.288286D+01 -0.838638D+00
      2   0.706889D+00  0.115698D+01 -0.497679D-01  0.185385D+01 -0.254043D+01
      3   0.200116D+00  0.387019D+01 -0.529254D+01  0.726729D+00  0.627181D-01
                71            72            73            74            75 
      1   0.227450D+01  0.133821D+00 -0.359262D+00  0.302360D+00  0.219682D+01
      2  -0.772724D+00  0.919018D-01 -0.821520D+00 -0.176837D-01  0.134633D+01
      3   0.790449D+00  0.406624D+00 -0.827255D+01  0.163622D+01 -0.176646D-01
                76            77            78            79            80 
      1  -0.117447D+01  0.863110D+00 -0.406372D+01 -0.290856D+01  0.171071D+01
      2  -0.435750D+00  0.656431D+00 -0.234954D+01 -0.199639D+01 -0.123802D-01
      3   0.393104D+01  0.132692D+01  0.393512D+00  0.463373D+00 -0.385364D+00
                81            82            83            84            85 
      1   0.560972D+00  0.764892D+00  0.542182D+00 -0.209121D+01  0.777994D+00
      2   0.428500D+00  0.100920D+01  0.477502D+00  0.999405D+00  0.711079D+00
      3   0.997560D+00  0.721377D+01  0.329233D+01 -0.117330D+01  0.546982D+01
                86            87            88            89            90 
      1   0.145077D+01 -0.461941D+01  0.107231D+01  0.216035D+01  0.373922D+00
      2   0.600025D+00  0.143003D+01 -0.113699D+01  0.521143D+00 -0.560239D+00
      3   0.348657D+01 -0.117214D+01 -0.129549D+01 -0.141219D+01 -0.487119D+00
                91            92            93            94            95 
      1   0.290912D+01  0.112483D+01 -0.192144D+01  0.510786D+01 -0.654476D+00
      2  -0.615281D+01 -0.202307D+01 -0.731610D+01 -0.257459D+01 -0.931219D+01
      3   0.104851D+02  0.642061D+00  0.251460D+01  0.206517D+02 -0.179477D+02
                96            97            98            99           100 
      1  -0.218194D+01 -0.265476D+01  0.536488D+01  0.138917D+01  0.119835D+01
      2  -0.334897D+01 -0.331253D+02 -0.691073D+00  0.401067D+01 -0.127932D+02
      3   0.848154D+01  0.680601D-01  0.111963D+02  0.844348D+01  0.460836D+00
               101           102           103           104           105 
      1  -0.631480D+01  0.658358D+00 -0.280514D+01  0.451747D+01 -0.116960D+02
      2   0.219121D+01  0.182037D+02 -0.349410D+00  0.192638D+02  0.675532D+01
      3  -0.139781D+02 -0.109141D+01 -0.857230D+01  0.833825D+01 -0.159958D+02
               106           107           108           109           110 
      1   0.326245D+01 -0.588488D+01 -0.544871D+01 -0.310240D+01  0.141626D+01
      2   0.166427D+02  0.351213D+01 -0.395142D+01  0.129154D+02  0.547405D+01
      3   0.542296D+01 -0.151002D+02 -0.816449D+01 -0.688931D+01  0.767038D+01
               111           112           113           114           115 
      1   0.973531D+01 -0.940610D+01 -0.725715D+01 -0.862077D+01  0.862837D+01
      2   0.443049D+01  0.658564D+01  0.418467D+01 -0.699680D+01  0.637051D+01
      3  -0.778862D+01  0.840510D+01  0.150302D+02 -0.263505D+01 -0.119713D+02
               116           117           118           119           120 
      1  -0.637683D-01  0.588198D+01  0.126587D+01 -0.111624D+01  0.107949D+01
      2  -0.208144D+01  0.381326D+01  0.302626D+01 -0.115385D+01  0.498433D+01
      3  -0.652288D+01 -0.422681D+01  0.887736D+01 -0.630631D+01 -0.112772D+00
               121           122           123           124           125 
      1  -0.133671D+01  0.251403D+01 -0.319430D+01  0.858860D+00 -0.446524D+00
      2  -0.163910D+01  0.514212D+01 -0.515758D+01  0.305344D+01 -0.362961D+01
      3  -0.135497D+01  0.212003D+02 -0.414450D+01 -0.906434D+00 -0.515488D+01
               126           127           128           129           130 
      1   0.756018D+00 -0.250773D+01  0.275257D+01 -0.787370D+00  0.114432D+01
      2   0.209973D+01 -0.276218D+01  0.311740D+01 -0.448024D+01  0.299170D+01
      3   0.257274D+01 -0.472398D+01  0.389922D+01 -0.148560D+01  0.364703D+01
               131           132           133           134           135 
      1  -0.112935D+02  0.351265D+01 -0.348278D+00  0.513451D+01 -0.285500D+01
      2  -0.102511D+02  0.906654D+01 -0.247033D+01  0.485441D+01 -0.704709D+01
      3  -0.175586D+02  0.936865D+01 -0.456659D-01  0.616230D+01 -0.502349D+01
               136           137           138           139           140 
      1  -0.137024D+01 -0.251403D+01  0.825969D+00 -0.235274D+01 -0.776748D+00
      2   0.116305D+02 -0.134234D+00  0.719421D+01  0.287473D+00 -0.939823D+00
      3  -0.441880D+01 -0.599078D+01  0.736119D+00 -0.365872D+01 -0.749370D+00
               141           142           143           144           145 
      1   0.448359D+00 -0.335122D-01  0.143232D+01  0.122860D+00  0.187664D+01
      2  -0.352240D+00  0.162853D+01  0.147435D+00  0.858865D+00 -0.513218D+01
      3   0.261351D+01 -0.561608D+00  0.272534D+01 -0.316397D+00  0.387758D+01
               146           147           148           149           150 
      1   0.321263D+01  0.197345D+00  0.186837D+01  0.621059D+01  0.265368D+01
      2  -0.468556D+01 -0.829464D+01 -0.318778D+01 -0.123212D+02 -0.133524D+02
      3   0.456038D+01  0.306250D+01  0.404210D+01  0.115817D+02  0.104689D+02
               151           152           153           154           155 
      1  -0.206241D+00  0.519141D+01  0.253591D+01  0.354180D+01  0.619991D+00
      2  -0.444765D+01 -0.987900D+01 -0.178055D+02 -0.115049D+02 -0.202994D+01
      3   0.171279D+00  0.792163D+01  0.925968D+01 -0.839091D+01 -0.197368D+02
               156           157           158           159           160 
      1  -0.578235D+01  0.664352D+01  0.444112D+01 -0.325042D+01 -0.347234D+01
      2   0.184371D+02 -0.139067D+01 -0.431334D+01  0.102556D+02  0.658471D+01
      3   0.319833D+00 -0.169949D+02 -0.221770D+02  0.531393D+00  0.276283D+01
               161           162           163           164           165 
      1   0.155663D+01  0.138192D+01  0.420899D+01  0.198191D+01 -0.286451D+01
      2   0.394548D+01 -0.849095D+01 -0.970870D+01 -0.459951D+01  0.156436D+01
      3   0.353048D+01 -0.304526D+01 -0.642982D+01 -0.379928D+01  0.147764D+01
               166           167           168           169           170 
      1   0.674528D+01  0.419623D+01  0.238512D+01 -0.394865D+00  0.705739D+01
      2  -0.822253D+01  0.515724D+01  0.703154D+01 -0.399790D+01  0.326267D+01
      3   0.169197D+00 -0.432625D+01 -0.856090D+01  0.323055D+01 -0.196512D+01
               171           172           173           174           175 
      1  -0.294961D+01 -0.651815D+01 -0.278482D+01  0.431910D+00 -0.769011D+01
      2   0.226733D+02  0.195221D+02  0.362012D+01 -0.577618D+01  0.792131D+01
      3  -0.380251D+01  0.211847D+01  0.226763D+01  0.150961D+01  0.738023D+01
               176           177           178           179           180 
      1  -0.247285D+01 -0.178764D+01  0.223565D-01 -0.198659D-01 -0.549293D+00
      2   0.335051D+01 -0.358952D+01 -0.244968D+01 -0.936459D+00  0.446337D+01
      3   0.104687D+01  0.274667D+00  0.135030D+01  0.651666D+00  0.753946D+00
               181           182           183           184           185 
      1  -0.188476D+00  0.219904D+01  0.696159D+01  0.266818D+01 -0.915934D+00
      2  -0.627792D+01 -0.252851D+01  0.779056D+01 -0.838648D+00 -0.757266D+01
      3  -0.274819D+02 -0.162412D+02  0.279676D+01 -0.783967D+01 -0.243307D+02
               186           187           188           189           190 
      1  -0.302637D+01  0.144273D+02  0.301652D+01 -0.227565D+01 -0.134019D+01
      2  -0.282775D+01 -0.236377D+01 -0.953621D+01  0.120534D+01 -0.455929D+01
      3   0.578607D+01  0.275352D+01  0.725329D+01 -0.176656D+01  0.779086D+01
               191           192           193           194           195 
      1   0.313910D+01 -0.583619D+00  0.273016D+01  0.216688D+01  0.454389D+01
      2   0.466455D+01  0.283286D+01  0.111837D+02  0.227407D+01 -0.388937D+01
      3   0.184075D+02 -0.422517D+01  0.404853D+02  0.208922D+02 -0.581907D+01
               196           197           198           199           200 
      1  -0.319582D+01  0.131694D+02 -0.332276D+01 -0.572543D-01 -0.193962D+01
      2   0.709660D-01 -0.548615D+01  0.118519D+01  0.116930D+01 -0.149699D+01
      3  -0.878193D+01 -0.396023D+01  0.552788D+01 -0.230848D+02 -0.933595D+01
               201           202           203           204           205 
      1   0.778372D+00 -0.173992D+01  0.102883D+01 -0.421039D+01 -0.347772D+01
      2   0.351624D+01 -0.667877D+01  0.410341D+01  0.650770D+01 -0.165548D+02
      3   0.234693D+01  0.977346D+00 -0.206931D+01 -0.203279D+01  0.509918D+01
               206           207           208           209           210 
      1   0.393289D+01  0.538968D+00  0.128162D+01 -0.278510D+01  0.720459D+00
      2   0.136921D+02 -0.484870D+01  0.384512D+01 -0.484691D+01  0.109660D+02
      3  -0.350653D+01 -0.639612D+01  0.991717D+01 -0.360191D+02  0.406921D+01
               211           212           213           214           215 
      1   0.483522D+00 -0.888712D+00 -0.627402D+01  0.259142D+01 -0.804892D+00
      2  -0.162554D+00  0.283809D+01  0.751579D+01 -0.604193D+01 -0.300831D+01
      3   0.151022D+01  0.120048D+02 -0.319644D+01  0.419294D+00  0.104243D+01
               216           217           218           219           220 
      1   0.111291D+01 -0.126366D+01  0.393521D+00 -0.116989D+01  0.233715D+01
      2  -0.115976D+01 -0.584193D+01 -0.147345D+01  0.791705D+01 -0.375408D+01
      3   0.118289D+01 -0.323370D+02 -0.315017D+01  0.374827D+01  0.673574D+01
               221           222           223           224           225 
      1   0.353592D+01  0.583306D+01  0.946570D+01  0.658670D+01 -0.151561D+01
      2  -0.797700D+01 -0.345671D+02 -0.721945D+01 -0.215033D+02  0.163443D+02
      3   0.175155D+02  0.849978D+01  0.422397D+01  0.659685D+01  0.274203D+02
               226           227           228           229           230 
      1   0.230667D+00 -0.294700D+00 -0.199985D+01  0.116991D+00 -0.684150D+00
      2   0.205237D+01  0.185698D+01 -0.256451D-01  0.141877D+01  0.358323D+01
      3   0.956719D+01  0.802799D+01 -0.205392D+01  0.708878D+01  0.177797D+02
               231           232           233           234           235 
      1  -0.419970D+01  0.136803D+01  0.218182D+01  0.315748D+00 -0.885372D+00
      2  -0.592299D+00 -0.623563D+00 -0.113257D+01  0.380571D-01 -0.104636D+01
      3  -0.361751D+01 -0.207686D+01 -0.399903D+01  0.360103D+00 -0.232652D+00
               236           237           238           239           240 
      1   0.955211D+00  0.219352D+01 -0.279518D+00 -0.767155D+00 -0.373353D+01
      2   0.137437D+00  0.253715D+01 -0.114507D+01  0.124406D+01 -0.377992D+01
      3  -0.575513D+01  0.533015D+00 -0.580208D+01  0.158683D+02 -0.138544D+01
               241           242           243           244           245 
      1  -0.297252D+01  0.155936D+01  0.544761D+00  0.200465D+00 -0.398885D-01
      2  -0.263556D+01 -0.102574D+01  0.117755D+01 -0.851502D+00 -0.821141D+00
      3   0.216483D+01 -0.244441D+01  0.160289D+01 -0.143875D+01 -0.265622D+01
               246           247           248           249           250 
      1  -0.109528D+01  0.233778D+00 -0.198449D+00 -0.278570D+01 -0.624238D+00
      2   0.116784D+01 -0.951658D+00 -0.289559D+01  0.284882D+01 -0.145533D+01
      3   0.502633D+00 -0.503773D+00 -0.135542D+02  0.243622D+01  0.583169D+00
               251           252           253           254           255 
      1   0.167534D+01  0.334262D+00 -0.152626D+00  0.625700D+00  0.144748D+01
      2  -0.863039D+00 -0.737885D-01 -0.626350D+01  0.723222D+00 -0.576482D+01
      3   0.312719D+01  0.254394D+00  0.159077D+00  0.269184D+01 -0.246364D+01
               256           257           258           259           260 
      1  -0.231548D+00 -0.318681D+00 -0.209020D+01 -0.179494D+01  0.147448D+01
      2  -0.332481D+01 -0.812342D+01  0.140668D+02  0.763038D+01  0.125340D+02
      3  -0.409852D+01 -0.121670D+02  0.994648D+01  0.406755D+01  0.103069D+02
               261           262           263           264           265 
      1   0.524373D+01  0.686198D+00 -0.578975D+00 -0.407962D+00 -0.580784D+00
      2  -0.361017D+02  0.118034D+01  0.816911D-01  0.887829D+01  0.401535D+00
      3  -0.169201D+02  0.151431D+02 -0.100731D+02 -0.910830D+00 -0.866590D+01
               266           267           268           269           270 
      1   0.156736D+00 -0.789825D+00 -0.113657D+01  0.145495D+00  0.171418D+00
      2   0.919488D+00 -0.107314D+01  0.754837D+01  0.848222D+00 -0.166303D+01
      3   0.600861D+01 -0.549083D+00 -0.873959D+00 -0.829228D+00 -0.892431D+00
               271           272           273           274           275 
      1  -0.225709D+00  0.964527D-01  0.975977D+00 -0.137569D+01 -0.265798D+01
      2   0.663767D+01  0.654515D+00 -0.260702D+01  0.526427D+01  0.116590D+02
      3  -0.291168D+01  0.152952D+01  0.639348D+00 -0.940663D+01 -0.251127D+02
               276           277           278           279 
      1  -0.481959D+01 -0.265713D+01 -0.132446D+01 -0.545872D+01
      2   0.150858D+02  0.572308D+01  0.135194D+02  0.183022D+02
      3  -0.140914D+02 -0.642181D+01 -0.155787D+02 -0.163850D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.747063D+02  0.441516D+02 -0.481851D+01 -0.741616D+02  0.276159D+01
      2   0.378778D+02 -0.305046D+02  0.423477D+01  0.386573D+02  0.710066D+01
      3   0.368285D+02 -0.136470D+02  0.583736D+00  0.355043D+02 -0.986225D+01
      4   0.245711D+02  0.108760D+02 -0.352639D+01  0.103033D+02 -0.212133D+02
      5  -0.819133D+01 -0.424024D+01 -0.391720D+00 -0.546399D+01  0.730951D+01
      6   0.246675D+01  0.218385D+01  0.292108D+01  0.410272D+01 -0.559197D+01
                 6             7             8             9            10 
      1   0.260628D+01  0.181655D+02 -0.507421D+01 -0.986374D+01  0.113565D+03
      2  -0.440304D+01 -0.840793D+01  0.205247D+01 -0.787437D+00 -0.540339D+02
      3   0.179676D+01 -0.975752D+01  0.302174D+01  0.106512D+02 -0.595311D+02
      4   0.410165D+01 -0.328278D+01  0.310447D+01 -0.708985D+00  0.134883D+02
      5   0.367597D+01  0.201231D+01 -0.137689D+01  0.320626D+00  0.172301D+00
      6  -0.233956D+00  0.162533D+01  0.437990D+01  0.936117D+00 -0.714585D+01
                11            12            13            14            15 
      1   0.164542D+01 -0.866052D+01  0.592407D+02 -0.360701D+02  0.194655D+01
      2  -0.519283D+01  0.482233D+01 -0.219776D+02  0.262713D+02 -0.492698D+01
      3   0.354740D+01  0.383819D+01 -0.372631D+02  0.979882D+01  0.298043D+01
      4   0.140549D+02 -0.542619D+01 -0.314963D+02  0.167611D+02 -0.747641D+00
      5  -0.790100D+01 -0.110956D+02  0.943922D+01 -0.225865D+01 -0.574399D+00
      6   0.433718D+01  0.191126D+01 -0.400181D+01 -0.119431D+01 -0.278654D+01
                16            17            18            19            20 
      1  -0.187090D+02  0.578798D+01 -0.497840D+01  0.393644D+02 -0.494600D+02
      2   0.851399D+01 -0.387427D+01 -0.235875D+01 -0.200808D+02  0.365943D+02
      3   0.101950D+02 -0.191371D+01  0.733715D+01 -0.192837D+02  0.128657D+02
      4   0.605774D+01 -0.252755D+01  0.494606D+01 -0.271994D+02 -0.128763D+02
      5   0.845732D+00  0.399698D+01  0.103732D+01  0.109610D+02  0.453762D+01
      6   0.514405D+01  0.417368D+01  0.161567D+01 -0.212112D+01 -0.106348D+01
                21            22            23            24            25 
      1   0.638247D+01  0.782620D+01  0.323362D+02 -0.520290D+01 -0.408491D+01
      2  -0.528836D+01 -0.195283D+02 -0.319931D+02  0.690009D+01  0.652881D+01
      3  -0.109411D+01  0.117021D+02 -0.343115D+00 -0.169720D+01 -0.244390D+01
      4   0.363492D+01  0.146395D+02 -0.277718D+01  0.249790D+01 -0.612753D+00
      5  -0.235674D+01 -0.729399D+01  0.308263D+01  0.617856D+01  0.469457D+01
      6   0.953699D-01  0.857885D+01  0.557449D+01  0.226318D+01  0.245514D+01
                26            27            28            29            30 
      1  -0.137010D+01 -0.669306D+01  0.626703D+01 -0.897557D+00  0.220153D+01
      2   0.523383D+01 -0.714382D+01 -0.193705D+02 -0.209611D+01 -0.802065D+00
      3  -0.386372D+01  0.138369D+02  0.131035D+02  0.299367D+01 -0.139947D+01
      4   0.527881D+01  0.375394D+01 -0.260437D+01  0.131681D+02  0.139500D+00
      5   0.843086D+01 -0.229223D+01 -0.125534D+02  0.216239D+01  0.866252D+01
      6   0.437374D+01 -0.227757D+00  0.934577D+01 -0.120679D+01 -0.292183D+01
                31            32            33            34            35 
      1   0.137093D+02 -0.666696D+02  0.890994D+01 -0.306945D+01  0.111726D+02
      2  -0.417840D+01  0.625725D+02 -0.129038D+02 -0.277952D-01 -0.118696D+02
      3  -0.953093D+01  0.409709D+01  0.399383D+01  0.309725D+01  0.697002D+00
      4  -0.388591D+02 -0.126729D+02  0.505136D+01  0.135634D+02  0.320379D+01
      5   0.121871D+02  0.562634D+01 -0.125543D+01  0.281892D+02 -0.564488D+01
      6  -0.135169D+01 -0.628599D+01 -0.287974D+01 -0.633327D+01  0.603729D+01
                36            37            38            39            40 
      1  -0.109977D+01 -0.352885D+01  0.702895D+02 -0.129759D+02 -0.196597D+02
      2  -0.637853D+01 -0.362777D+01 -0.543078D+02  0.667768D+01  0.208738D+02
      3   0.747830D+01  0.715662D+01 -0.159817D+02  0.629823D+01 -0.121409D+01
      4  -0.561613D+00  0.231864D+02 -0.101655D+02 -0.969111D+00  0.191554D+02
      5  -0.397511D+00 -0.343240D+01 -0.418538D+01  0.330177D+01  0.285914D+01
      6   0.481097D+01 -0.340685D+01  0.339681D+01 -0.129393D+02 -0.999719D+01
                41            42            43            44            45 
      1   0.283237D+02 -0.845075D+01  0.551324D+01 -0.146611D+02 -0.131388D+02
      2  -0.317168D+02  0.779665D+01 -0.972834D+01  0.162069D+02  0.234189D+01
      3   0.339305D+01  0.654107D+00  0.421510D+01 -0.154585D+01  0.107969D+02
      4   0.166580D+02 -0.728085D+01 -0.944445D+00 -0.590268D+01 -0.658389D+01
      5  -0.857169D+01 -0.659653D+01  0.179628D+02 -0.732297D+01  0.367974D+01
      6   0.914386D+01  0.609797D+01 -0.187061D+02  0.162925D+02  0.695623D+00
                46            47            48            49            50 
      1   0.405031D+01 -0.575369D+02  0.825063D+01  0.215637D+02  0.103557D+02
      2  -0.213040D+01  0.449378D+02 -0.304301D+01 -0.204415D+02 -0.150994D+02
      3  -0.191990D+01  0.125992D+02 -0.520761D+01 -0.112221D+01  0.474368D+01
      4  -0.200355D+02 -0.976856D+01  0.455804D+01  0.140773D+02 -0.956476D+01
      5   0.509021D+01  0.664858D+01 -0.739305D-01 -0.232518D+01  0.158556D+01
      6   0.370484D+01  0.681036D+00  0.113033D+02  0.347395D+01  0.110874D+02
                51            52            53            54            55 
      1  -0.768747D+01 -0.514280D+01 -0.311558D+01 -0.216361D+02 -0.285191D+02
      2   0.888962D+01  0.658423D+01  0.984051D+01  0.843664D+01  0.123336D+02
      3  -0.120214D+01 -0.144143D+01 -0.672493D+01  0.131994D+02  0.161854D+02
      4   0.301623D+01  0.122548D+01  0.619683D+01  0.553716D+01  0.996988D+00
      5   0.108324D+01  0.526800D+01  0.234332D+01  0.293924D+00 -0.218921D+01
      6   0.582217D+01  0.517476D+01  0.209721D+02 -0.541935D+01  0.360047D+01
                56            57            58            59            60 
      1  -0.424053D+02  0.704512D+01  0.137345D+02  0.187247D+02 -0.930659D+01
      2   0.355334D+02 -0.908382D+00 -0.124260D+02 -0.199870D+02  0.932955D+01
      3   0.687188D+01 -0.613674D+01 -0.130850D+01  0.126226D+01 -0.229608D-01
      4  -0.470946D+02  0.754027D+01  0.137404D+02 -0.368335D+01 -0.107632D+01
      5   0.110818D+02 -0.118044D+02 -0.295228D+01 -0.268907D+01 -0.136625D+01
      6  -0.199042D+01  0.130805D+02  0.315843D+01  0.103443D+02  0.438291D+01
                61            62            63            64            65 
      1  -0.223196D+01 -0.606719D+01 -0.264316D+02  0.329095D+01 -0.778618D+00
      2   0.538508D+01  0.118137D+02  0.829861D+01 -0.372511D+00  0.219738D+01
      3  -0.315312D+01 -0.574647D+01  0.181330D+02 -0.291844D+01 -0.141876D+01
      4  -0.294614D+01  0.283213D+01 -0.538190D+01  0.101824D+02  0.103494D+02
      5  -0.193255D+01 -0.944223D+01  0.668869D+01 -0.210560D+01 -0.217511D+01
      6   0.641723D+01  0.178065D+02 -0.649615D+01 -0.175663D+01 -0.135766D+01
                66            67            68            69            70 
      1   0.394863D+00 -0.330280D+01 -0.139595D+02  0.305369D+01  0.807430D+00
      2  -0.406323D-01  0.558587D+01  0.169068D+02 -0.129483D+01 -0.555205D+00
      3  -0.354231D+00 -0.228307D+01 -0.294729D+01 -0.175886D+01 -0.252224D+00
      4  -0.162482D+01  0.135630D+02  0.183687D+02 -0.310484D+01 -0.264712D+01
      5   0.310942D+01 -0.366673D+01 -0.335418D+01  0.381943D+01  0.184376D+01
      6   0.162969D+01 -0.289120D+01 -0.593267D+01  0.506655D+01  0.248510D+01
                71            72            73            74            75 
      1   0.199211D+01 -0.301377D+01 -0.105952D+01  0.704415D+01 -0.825217D+00
      2  -0.175583D+01  0.241119D+01  0.103786D+02 -0.159738D+02  0.132983D+01
      3  -0.236282D+00  0.602574D+00 -0.931906D+01  0.892965D+01 -0.504616D+00
      4  -0.334936D+01  0.264292D+01 -0.218887D+02  0.220749D+02 -0.231698D+01
      5   0.119009D+01 -0.107467D+01  0.183234D+01 -0.233598D+01  0.304326D+01
      6   0.317037D+01 -0.208223D+01 -0.110815D+01  0.144801D+01 -0.310553D+01
                76            77            78            79            80 
      1   0.120761D+02 -0.286157D+02  0.357218D+01 -0.255906D+01  0.470730D+01
      2  -0.227041D+02  0.464798D+02 -0.437506D+01  0.456823D+01 -0.678228D+01
      3   0.106279D+02 -0.178641D+02  0.802881D+00 -0.200917D+01  0.207498D+01
      4   0.238314D+02 -0.328649D+02  0.370267D+01 -0.345285D+01  0.447165D+01
      5  -0.329587D+01  0.413552D+01 -0.364750D+01  0.197562D+00 -0.195493D+01
      6   0.375774D+01 -0.532252D+01  0.664729D+01  0.127670D+01  0.310065D+01
                81            82            83            84            85 
      1  -0.139088D+01 -0.566933D+01 -0.106706D+02  0.249021D+01 -0.984854D+01
      2   0.278457D+01  0.101383D+02  0.172195D+02 -0.269956D+01  0.140889D+02
      3  -0.139369D+01 -0.446894D+01 -0.654891D+01  0.209348D+00 -0.424035D+01
      4  -0.264231D+01  0.119454D+02  0.190846D+02 -0.337919D+01  0.126991D+02
      5   0.985350D+00 -0.136718D+01 -0.191239D+01  0.279833D+01 -0.137393D+01
      6  -0.192321D+01 -0.261098D+01 -0.394129D+01  0.355247D+01 -0.305041D+01
                86            87            88            89            90 
      1  -0.396563D+02  0.772735D+01  0.249186D+01  0.839071D+01 -0.202952D+01
      2   0.564132D+02 -0.856353D+01 -0.340820D+01 -0.107439D+02  0.276904D+01
      3  -0.167570D+02  0.836174D+00  0.916338D+00  0.235322D+01 -0.739515D+00
      4   0.263835D+02 -0.442549D+01 -0.319399D+01 -0.519882D+01  0.325217D+01
      5  -0.192965D+01  0.210159D+01  0.107625D+01  0.265778D+01 -0.140646D+01
      6  -0.107456D+02  0.865880D+01  0.809727D+00  0.443434D+01 -0.275740D+01
                91            92            93            94            95 
      1  -0.158059D+01  0.210561D+01 -0.134935D+02 -0.472817D+01 -0.425731D+01
      2   0.750970D+01  0.225434D+01  0.859382D+00  0.110983D+02 -0.961984D+01
      3  -0.592911D+01 -0.435995D+01  0.126342D+02 -0.637015D+01  0.138771D+02
      4  -0.365246D+01 -0.156131D+02 -0.373823D+01 -0.178127D+02  0.362583D+02
      5  -0.163207D+01 -0.486428D+01 -0.225703D+02  0.183245D+01 -0.148409D+02
      6  -0.342759D+01  0.149174D+01  0.104139D+01 -0.327315D+01  0.310190D+01
                96            97            98            99           100 
      1  -0.246383D+01  0.587549D+00 -0.441247D+01 -0.208337D+02 -0.764552D+02
      2   0.180385D+01 -0.136242D+02  0.893908D+01  0.204857D+02  0.422336D+02
      3   0.659981D+00  0.130366D+02 -0.452661D+01  0.348066D+00  0.342216D+02
      4  -0.169815D+02 -0.567831D+01 -0.176219D+02 -0.482511D+01  0.120866D+02
      5  -0.699210D+01 -0.591054D+02  0.927915D-01  0.168293D+02  0.385964D+02
      6   0.365303D+01  0.287814D+01 -0.449263D+00 -0.139454D+01 -0.394090D+01
               101           102           103           104           105 
      1   0.771742D+01  0.284997D+02  0.454174D+01  0.312950D+02  0.873758D+01
      2  -0.344150D+01 -0.677147D+01 -0.565035D+01 -0.550760D+01  0.636135D+00
      3  -0.427592D+01 -0.217282D+02  0.110861D+01 -0.257874D+02 -0.937371D+01
      4   0.181510D+02  0.118606D+01  0.168596D+02 -0.149701D+02  0.245045D+02
      5   0.731678D+00  0.124789D+02 -0.821817D+00  0.161817D+02  0.855821D+01
      6  -0.117262D+02 -0.338608D+01 -0.699699D+01  0.387925D+01 -0.200905D+02
               106           107           108           109           110 
      1   0.455242D+01  0.872777D+01  0.219164D+02 -0.687845D+02 -0.223313D+02
      2   0.155942D+02 -0.318212D+01 -0.225559D+02  0.254370D+02  0.262523D+01
      3  -0.201466D+02 -0.554566D+01  0.639450D+00  0.433476D+02  0.197061D+02
      4   0.155508D+01  0.212581D+02  0.546118D+01 -0.372252D+02 -0.215663D+02
      5   0.386893D+02  0.289397D+01 -0.291410D+02  0.499678D+01  0.526511D-01
      6  -0.369672D+01 -0.150712D+02 -0.763551D+01 -0.381811D-01  0.191247D+01
               111           112           113           114           115 
      1   0.504110D+01 -0.290910D+02 -0.136425D+02  0.861327D+01  0.299917D+02
      2  -0.305369D+01  0.561414D+01  0.479954D+01 -0.938334D+00 -0.130078D+02
      3  -0.198741D+01  0.234769D+02  0.884296D+01 -0.767494D+01 -0.169839D+02
      4   0.319809D+01 -0.966877D+01 -0.199682D+02  0.945157D+01  0.108876D+02
      5   0.436994D+00 -0.154486D+01  0.706993D+01 -0.180724D+01  0.199617D+02
      6  -0.356133D+01  0.286365D+01 -0.355669D+01  0.551716D+00  0.250451D+01
               116           117           118           119           120 
      1   0.521903D+01  0.195878D+02  0.781472D+01 -0.971265D+01  0.526674D+01
      2  -0.194562D+01 -0.249473D+01  0.278512D+01  0.224875D+00 -0.154111D+01
      3  -0.327340D+01 -0.170931D+02 -0.105998D+02  0.948777D+01 -0.372564D+01
      4   0.146190D+02  0.395999D+01 -0.211797D+02  0.211507D+02 -0.136614D+01
      5   0.262192D+01  0.378715D+01  0.641275D+01 -0.812281D+00  0.989270D+01
      6  -0.984426D+00 -0.138860D+01 -0.158047D+01  0.586559D+00 -0.970613D+00
               121           122           123           124           125 
      1  -0.162654D+02 -0.150030D+01 -0.281166D+00  0.659195D+01  0.162647D+01
      2   0.240403D+01  0.197150D+02 -0.322664D+01 -0.222124D+01 -0.476722D+01
      3   0.138613D+02 -0.182147D+02  0.350781D+01 -0.437071D+01  0.314074D+01
      4   0.238518D+02 -0.497689D+02  0.877311D+01 -0.326257D+01  0.116977D+02
      5  -0.226415D+01  0.789682D+01 -0.103991D+02  0.122559D+02 -0.819413D+01
      6   0.773574D+00 -0.277535D+01  0.456865D+01 -0.246824D+01  0.645399D+01
               126           127           128           129           130 
      1   0.269093D+01  0.160369D+01  0.679259D+01 -0.910374D+01  0.103192D+02
      2  -0.692298D+00 -0.129419D+01 -0.299008D+01  0.568731D+00 -0.671573D+01
      3  -0.199863D+01 -0.309504D+00 -0.380251D+01  0.853501D+01 -0.360349D+01
      4  -0.890977D+01  0.383185D+01 -0.474958D+01  0.172069D+01  0.982522D+00
      5   0.400977D+01 -0.251263D+01 -0.877576D+00 -0.377501D+01 -0.899132D+01
      6  -0.272770D+01 -0.336718D+01  0.473284D+01 -0.183639D+01  0.748125D+00
               131           132           133           134           135 
      1  -0.163720D+02  0.890530D+01 -0.429648D+01  0.572959D+01 -0.115050D+02
      2   0.595499D+01  0.341065D+01  0.142924D+01  0.169774D+01 -0.167247D+01
      3   0.104171D+02 -0.123160D+02  0.286724D+01 -0.742734D+01  0.131775D+02
      4   0.296774D+02 -0.158375D+02 -0.762350D+00 -0.109761D+02  0.882640D+01
      5  -0.118345D+02  0.163461D+02  0.248765D+01  0.705974D+01 -0.899993D+01
      6  -0.201094D+02  0.136409D+02  0.319993D+00  0.110048D+02 -0.740703D+01
               136           137           138           139           140 
      1   0.112792D+03 -0.606425D+01 -0.200389D+02 -0.471370D+01  0.666601D+01
      2  -0.668599D+02  0.263016D+01  0.184175D+02  0.131458D+01 -0.427381D+01
      3  -0.459325D+02  0.343409D+01  0.162137D+01  0.339912D+01 -0.239220D+01
      4  -0.137084D+02  0.119206D+02  0.354109D+01  0.149045D+02 -0.128895D+01
      5  -0.631915D+02  0.395149D+01  0.295017D+02  0.259860D+01 -0.728655D+01
      6   0.523253D+01 -0.411141D+01 -0.206668D+01 -0.457705D+01  0.273271D+00
               141           142           143           144           145 
      1   0.122716D+00 -0.928209D+01 -0.113009D+01  0.954264D+01 -0.172651D+01
      2  -0.212229D+00  0.940169D+01 -0.595703D-01 -0.755652D+01 -0.630811D+00
      3   0.895128D-01 -0.119595D+00  0.118966D+01 -0.198613D+01  0.235732D+01
      4  -0.594372D+01  0.195615D+00 -0.353934D+01 -0.138886D+01 -0.408506D+01
      5  -0.129815D+01  0.185606D+02 -0.623102D+00 -0.771239D+01 -0.305939D+01
      6   0.433467D+01 -0.712854D+00  0.279362D+01  0.117325D+01  0.481780D+01
               146           147           148           149           150 
      1  -0.106599D+02 -0.159192D+02 -0.936265D+01 -0.205333D+02 -0.175614D+02
      2   0.419027D+01  0.158654D+01  0.585679D+01  0.854836D+01  0.261354D+00
      3   0.646960D+01  0.143326D+02  0.350586D+01  0.119849D+02  0.173001D+02
      4  -0.521730D+01 -0.293435D+01  0.172969D+01 -0.200685D+02 -0.190371D+02
      5  -0.418646D+00 -0.602879D+01  0.717162D+01 -0.148297D+02 -0.206149D+02
      6   0.703681D+01  0.617701D+01  0.835952D+00  0.191636D+02  0.200069D+02
               151           152           153           154           155 
      1  -0.628591D+01 -0.133814D+02 -0.262844D+02  0.161482D+03  0.353612D+02
      2   0.233227D+01 -0.198941D+00 -0.363388D+01 -0.713218D+02 -0.100263D+02
      3   0.395364D+01  0.135804D+02  0.299183D+02 -0.901597D+02 -0.253349D+02
      4   0.187918D+01 -0.142181D+02 -0.155286D+02  0.590312D+02  0.409992D+02
      5   0.370840D+01 -0.134941D+02 -0.243288D+02  0.104343D+02  0.349974D+01
      6   0.428551D+00  0.156348D+02  0.187976D+02 -0.273773D+00  0.935895D+00
               156           157           158           159           160 
      1  -0.607611D+01  0.458062D+02  0.333673D+02 -0.428551D+01 -0.739851D+01
      2  -0.120284D+01 -0.979923D+01 -0.207294D+01 -0.578294D+00 -0.226282D+00
      3   0.727895D+01 -0.360070D+02 -0.312944D+02  0.486381D+01  0.762479D+01
      4  -0.226753D+00  0.596461D+02  0.498234D+02 -0.493211D+01 -0.438246D+01
      5   0.287338D+02  0.118723D+01 -0.242198D+00  0.135365D+02  0.305772D+02
      6   0.504878D+01  0.339014D+01  0.323484D+01  0.627085D+01  0.680567D+01
               161           162           163           164           165 
      1  -0.289913D+01  0.187119D+02  0.372528D+02  0.124633D+02  0.114743D+02
      2  -0.103073D+01 -0.103748D+02 -0.239825D+02 -0.424817D+01 -0.806270D+01
      3   0.392985D+01 -0.833713D+01 -0.132702D+02 -0.821518D+01 -0.341158D+01
      4  -0.831174D+01  0.121476D+02  0.201156D+02  0.108408D+02  0.141966D+01
      5   0.111322D+02 -0.751518D+01  0.242365D+02  0.306310D+01  0.163371D+02
      6   0.558066D+01 -0.216560D+00  0.887973D+01  0.178257D+01  0.435908D+00
               166           167           168           169           170 
      1   0.170307D+02 -0.566588D+01 -0.760570D+01 -0.536854D+01 -0.596058D+01
      2  -0.848901D+01  0.272900D+01  0.178497D+01 -0.189854D+01  0.157113D+01
      3  -0.854169D+01  0.293688D+01  0.582072D+01  0.726708D+01  0.438945D+01
      4   0.109321D+02  0.666178D+01  0.114381D+02 -0.183218D+01  0.251019D+01
      5   0.103670D+02  0.122697D+02  0.954827D+01  0.148143D+02  0.468227D+01
      6   0.249475D+01  0.665951D+01  0.120562D+02  0.465666D+00  0.985444D+01
               171           172           173           174           175 
      1  -0.275507D+02 -0.400710D+02 -0.809453D+01  0.815978D+01 -0.179411D+02
      2  -0.150773D+02  0.214190D+02  0.345964D+01  0.281499D+01  0.110193D+02
      3   0.426280D+02  0.186520D+02  0.463490D+01 -0.109748D+02  0.692184D+01
      4   0.314301D+01 -0.174541D+02 -0.743701D+01 -0.112032D+01 -0.872972D+01
      5   0.440739D+02 -0.172538D+02 -0.397347D+01 -0.114484D+02 -0.963877D+01
      6   0.810024D+01 -0.687002D+01 -0.406367D+01 -0.194359D+01 -0.342822D+01
               176           177           178           179           180 
      1  -0.816893D+01  0.223859D+01 -0.133355D+01  0.737711D+00 -0.951380D+01
      2   0.440034D+01  0.240808D+01  0.621611D+01  0.384851D+00  0.279495D+01
      3   0.376859D+01 -0.464667D+01 -0.488256D+01 -0.112256D+01  0.671884D+01
      4  -0.378404D+01  0.156862D+01 -0.416034D+01 -0.243761D+00 -0.335326D+01
      5   0.382285D+00 -0.722260D+01 -0.679625D+01 -0.169596D+01  0.345513D+00
      6  -0.237534D+01  0.211092D+01 -0.208818D+01  0.133429D+01 -0.203975D+01
               181           182           183           184           185 
      1   0.393509D+02  0.578274D+02 -0.119321D+02 -0.361212D+02  0.247958D+02
      2  -0.265736D+02 -0.429786D+02  0.386513D+01  0.251829D+02 -0.263329D+02
      3  -0.127773D+02 -0.148488D+02  0.806693D+01  0.109383D+02  0.153704D+01
      4   0.161577D+02  0.290313D+02 -0.656561D+01  0.154267D+02  0.275507D+02
      5   0.314181D+00 -0.955714D+01  0.157331D+02  0.245816D+01 -0.117728D+02
      6  -0.175112D+01  0.652111D+01 -0.138921D+02 -0.697970D+01  0.982291D+01
               186           187           188           189           190 
      1  -0.347780D+01  0.690577D+01 -0.108914D+02  0.370863D+00  0.128788D+03
      2   0.533670D+01 -0.129815D+02  0.150413D+02 -0.559707D+01 -0.713299D+02
      3  -0.185890D+01  0.607576D+01 -0.414991D+01  0.522621D+01 -0.574583D+02
      4  -0.116169D+02 -0.132932D+01 -0.141233D+02 -0.185173D+02 -0.162847D+02
      5  -0.823799D+01  0.290705D+02 -0.169107D+02  0.774359D+01  0.624514D+01
      6   0.530520D+01 -0.213351D+02  0.159033D+02  0.312157D+00  0.512925D+00
               191           192           193           194           195 
      1  -0.301293D+02 -0.889516D+00 -0.849606D+02 -0.388831D+02  0.157735D+02
      2   0.115566D+02 -0.917164D+00  0.467065D+02  0.434955D+02 -0.171780D+02
      3   0.185727D+02  0.180668D+01  0.382541D+02 -0.461241D+01  0.140450D+01
      4   0.140820D+02 -0.307728D+00 -0.390821D+02 -0.544383D+02  0.990808D+01
      5  -0.310298D+00  0.969699D+01  0.164059D+02  0.979546D+01 -0.797419D+01
      6   0.235811D+01 -0.214508D+01  0.154098D+01 -0.118774D+02 -0.537201D+01
               196           197           198           199           200 
      1   0.129796D+02  0.117628D+02  0.183938D+02 -0.118344D+03 -0.745751D+01
      2  -0.828760D+01 -0.100379D+02 -0.172845D+02  0.571398D+02  0.132928D+02
      3  -0.469200D+01 -0.172490D+01 -0.110929D+01  0.612041D+02 -0.583525D+01
      4   0.160620D+02  0.582300D+01 -0.807450D+01 -0.147240D+02 -0.256217D+02
      5   0.438430D+02 -0.140920D+02  0.258590D+01  0.333998D+01  0.104047D+02
      6  -0.399454D+01  0.775632D+01  0.367400D+01  0.675479D+01 -0.500699D+01
               201           202           203           204           205 
      1   0.862430D+01  0.110476D+03  0.322104D+01 -0.834920D+01 -0.125025D+02
      2  -0.625325D+01 -0.698528D+02 -0.140426D+02  0.841525D+01  0.975522D+01
      3  -0.237105D+01 -0.406229D+02  0.108216D+02 -0.660424D-01  0.274728D+01
      4   0.819719D+01  0.135168D+02  0.208076D+02  0.200376D+01  0.114595D+01
      5   0.387858D+01 -0.225411D+01  0.242618D+01  0.143976D+02  0.583158D+01
      6   0.686111D+00  0.376175D+01  0.957196D+01  0.685514D+01  0.175316D+01
               206           207           208           209           210 
      1   0.392615D-01 -0.110490D+02  0.752300D+01 -0.239978D+01  0.257010D+01
      2   0.303142D+01 -0.653875D+01 -0.400361D+01  0.645988D+00  0.966453D+00
      3  -0.307069D+01  0.175877D+02 -0.351938D+01  0.175380D+01 -0.353655D+01
      4   0.657563D+01  0.170037D+02 -0.179987D+02  0.114467D+02  0.242826D+01
      5   0.205082D+02 -0.939459D+01  0.126951D+01  0.155521D+01  0.192554D+02
      6   0.745300D+01  0.830688D+00  0.150503D+01 -0.728745D+00  0.924363D+00
               211           212           213           214           215 
      1  -0.129854D+02  0.110809D+01  0.300858D+01  0.352047D+01  0.120552D-01
      2   0.480851D+01  0.236099D+01  0.258908D+01 -0.139952D+01  0.121312D+01
      3   0.817685D+01 -0.346908D+01 -0.559766D+01 -0.212094D+01 -0.122518D+01
      4   0.276728D+02 -0.226445D+02  0.460997D+01 -0.226539D+01  0.163246D+01
      5  -0.630280D+00  0.602311D+01  0.131506D+02  0.106940D+02 -0.634139D+01
      6  -0.532960D+00  0.285769D+01  0.958602D+01 -0.238684D+01  0.430053D+01
               216           217           218           219           220 
      1   0.253574D+01 -0.909491D+02  0.239698D+02  0.326280D+01  0.388299D+02
      2  -0.152166D+01  0.496851D+02 -0.120898D+02 -0.925445D+00 -0.188230D+02
      3  -0.101408D+01  0.412640D+02 -0.118800D+02 -0.233735D+01 -0.200069D+02
      4  -0.688910D+01  0.284477D+02  0.155761D+02 -0.655812D+01 -0.941297D+01
      5  -0.323020D+01  0.204771D+01 -0.639958D+01  0.972345D+01 -0.859605D+01
      6  -0.249614D+01 -0.346186D+01 -0.930154D+00  0.298140D+01 -0.327673D+01
               221           222           223           224           225 
      1   0.824056D+01 -0.983932D+01 -0.121647D+01 -0.593007D+01  0.171829D+02
      2  -0.661043D+01 -0.451652D+01 -0.363653D+01 -0.316152D+01 -0.663224D+01
      3  -0.163013D+01  0.143558D+02  0.485301D+01  0.909159D+01 -0.105506D+02
      4  -0.116465D+02 -0.204053D+02 -0.688073D+01 -0.167098D+02 -0.395441D+02
      5  -0.206951D+02 -0.658132D+02 -0.106055D+02 -0.385860D+02  0.265153D+02
      6  -0.476735D+01 -0.162290D+02 -0.767796D+01 -0.108651D+02  0.779563D+01
               226           227           228           229           230 
      1  -0.975845D+01 -0.187484D+02  0.433323D+01 -0.106819D+02 -0.468348D+02
      2   0.101525D+02  0.199164D+02 -0.318122D+01  0.116817D+02  0.558676D+02
      3  -0.394056D+00 -0.116804D+01 -0.115201D+01 -0.999894D+00 -0.903277D+01
      4   0.408352D+01  0.659650D+01 -0.103379D+01  0.304358D+01 -0.394267D+01
      5  -0.463438D+00 -0.582508D+00  0.117747D+01  0.122766D+00  0.212768D+01
      6  -0.282444D+01 -0.494147D+01  0.374744D+01 -0.307387D+01 -0.134436D+02
               231           232           233           234           235 
      1   0.948711D+01  0.301026D+01  0.102437D+02 -0.224331D+01  0.180559D+02
      2  -0.834236D+01 -0.321563D+01 -0.105862D+02  0.274446D+01  0.150931D+01
      3  -0.114475D+01  0.205367D+00  0.342597D+00 -0.501147D+00 -0.195652D+02
      4   0.960482D+00 -0.333972D+00  0.696665D+00  0.104453D+01 -0.377284D+02
      5  -0.155340D+01  0.208590D+01  0.344749D-01 -0.297436D+00  0.596472D+01
      6   0.894350D+01  0.345341D-01  0.532019D+01 -0.288534D+01 -0.271065D+01
               236           237           238           239           240 
      1  -0.987004D+01  0.103934D+01 -0.677946D+01 -0.376344D+01  0.339285D+00
      2  -0.730808D+01  0.323106D-02 -0.137866D+02  0.310225D+02 -0.197477D+01
      3   0.171781D+02 -0.104257D+01  0.205660D+02 -0.272590D+02  0.163549D+01
      4   0.374066D+02 -0.373717D+01  0.439376D+02 -0.605416D+02  0.709205D+01
      5  -0.528663D+01  0.550719D+01 -0.809052D+01  0.965972D+01 -0.727511D+01
      6   0.281726D+01 -0.372219D+01  0.611533D+01 -0.810911D+01  0.706520D+01
               241           242           243           244           245 
      1  -0.264976D+00  0.906469D+00 -0.147951D+01  0.168108D+02  0.123658D+02
      2   0.345890D+01 -0.412779D+01  0.236467D+01 -0.623967D+01 -0.421423D+01
      3  -0.319393D+01  0.322132D+01 -0.885165D+00 -0.105711D+02 -0.815157D+01
      4  -0.619477D+01  0.838454D+01 -0.409065D+01  0.213190D+02  0.155207D+02
      5   0.205452D+00 -0.353008D+01  0.186435D+01 -0.451518D+01 -0.297527D+01
      6   0.320698D+00  0.363175D+01 -0.200549D+01 -0.115595D+01 -0.105903D+01
               246           247           248           249           250 
      1  -0.320419D+01  0.152769D+02  0.217789D+00 -0.815299D+00 -0.373234D+01
      2   0.158654D+01 -0.195735D+01  0.110172D+02 -0.226081D+00  0.159029D+01
      3   0.161765D+01 -0.133195D+02 -0.112350D+02  0.104138D+01  0.214205D+01
      4  -0.366351D+01  0.265526D+02  0.363365D+02 -0.725885D+01 -0.604372D+01
      5   0.301310D+01 -0.505504D+01 -0.586357D+01  0.552029D+01  0.230166D+01
      6   0.120064D+01 -0.230006D+01 -0.399157D+01  0.455499D+01  0.258048D+01
               251           252           253           254           255 
      1  -0.118037D+01 -0.585596D+00 -0.722102D+00  0.293143D+00 -0.124862D+02
      2  -0.971766D+00  0.164305D+01 -0.698964D+00 -0.533133D+00  0.387290D+01
      3   0.215214D+01 -0.105746D+01  0.142107D+01  0.239990D+00  0.861330D+01
      4  -0.800757D+01  0.212403D+01 -0.300661D+01 -0.228016D+01 -0.624463D+00
      5   0.478136D+00 -0.118161D+01 -0.752801D+01 -0.531389D-01 -0.717870D+01
      6   0.178011D+01 -0.179354D+01 -0.155491D+01  0.884251D+00 -0.283986D+01
               256           257           258           259           260 
      1   0.312884D+01 -0.121356D+00  0.185537D+01 -0.270890D+02 -0.171747D+01
      2  -0.189382D+01  0.942356D+00  0.203168D+00  0.183684D+02  0.238199D+01
      3  -0.123502D+01 -0.820999D+00 -0.205854D+01  0.872053D+01 -0.664518D+00
      4   0.146546D+02  0.177236D+02 -0.161522D+02 -0.150228D+02 -0.158242D+02
      5  -0.956766D+01 -0.149621D+02  0.270472D+02  0.289271D+02  0.226666D+02
      6  -0.346441D+01 -0.657580D+01  0.111930D+02  0.739888D+01  0.970711D+01
               261           262           263           264           265 
      1  -0.634983D+01  0.204429D+03 -0.152481D+02 -0.804731D+01 -0.421131D+02
      2  -0.107219D+02 -0.107441D+03  0.896921D+01  0.506915D+01  0.231808D+02
      3   0.170717D+02 -0.969874D+02  0.627892D+01  0.297816D+01  0.189322D+02
      4   0.243562D+02 -0.581377D+01  0.155917D+02  0.939119D+00  0.206564D+02
      5  -0.664058D+02 -0.118570D+02  0.155588D+01  0.176952D+02  0.334784D+01
      6  -0.158211D+02  0.183865D+01 -0.942284D+00  0.508981D+00 -0.141671D+01
               266           267           268           269           270 
      1   0.191861D+02  0.203769D+01 -0.278487D+01  0.582728D+00  0.158764D+02
      2  -0.943538D+01 -0.938041D+00  0.254329D+01  0.139424D+00 -0.960326D+01
      3  -0.975073D+01 -0.109964D+01  0.241580D+00 -0.722151D+00 -0.627314D+01
      4  -0.103054D+02  0.711013D+00  0.104592D+01  0.162464D+01  0.178732D+01
      5   0.356585D+00 -0.233139D+01  0.231874D+02  0.928451D+00 -0.412051D+01
      6   0.110431D+01  0.154690D+01  0.553266D+00  0.197725D+01 -0.325041D+00
               271           272           273           274           275 
      1   0.748927D+01  0.571165D+01  0.102154D+02  0.165198D+02  0.593424D+01
      2  -0.263482D+01 -0.297974D+01 -0.537467D+01 -0.457600D+01  0.645445D+01
      3  -0.485445D+01 -0.273191D+01 -0.484077D+01 -0.119438D+02 -0.123887D+02
      4   0.410076D+01  0.173867D+01  0.252655D+01  0.297262D+02  0.420887D+02
      5   0.100238D+02  0.152678D+01 -0.396385D+01  0.138496D+02  0.252019D+02
      6   0.244733D+01 -0.369070D-01 -0.191505D+01  0.510178D+01  0.874592D+01
               276           277           278           279 
      1   0.178489D+01  0.288443D+02  0.554583D+01 -0.133201D+01
      2   0.404749D+01 -0.130340D+02  0.940847D+00 -0.642200D+00
      3  -0.583237D+01 -0.158103D+02 -0.648668D+01  0.197421D+01
      4   0.254947D+02  0.216110D+02  0.266445D+02  0.270137D+02
      5   0.299960D+02  0.201894D+02  0.264471D+02  0.368233D+02
      6   0.969877D+01  0.692368D+01  0.941313D+01  0.102111D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197200D+03      0.292221D+02      0.325140D+02
   aniso      0.151183D+03      0.224030D+02      0.249267D+02
   xx         0.291041D+03      0.431279D+02      0.479862D+02
   yx        -0.110446D+02     -0.163664D+01     -0.182100D+01
   yy         0.177270D+03      0.262687D+02      0.292279D+02
   zx        -0.991443D+01     -0.146917D+01     -0.163467D+01
   zy        -0.808941D+01     -0.119873D+01     -0.133376D+01
   zz         0.123290D+03      0.182696D+02      0.203277D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197200D+03      0.292221D+02      0.325140D+02
   aniso      0.151183D+03      0.224030D+02      0.249267D+02
   xx         0.156764D+03      0.232300D+02      0.258469D+02
   yx        -0.423335D+02     -0.627317D+01     -0.697985D+01
   yy         0.189295D+03      0.280506D+02      0.312105D+02
   zx         0.519963D+02      0.770506D+01      0.857304D+01
   zy        -0.332526D+02     -0.492753D+01     -0.548262D+01
   zz         0.245543D+03      0.363857D+02      0.404845D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-12\Freq\RM11\Gen\C14H14O3\PIERPA\13-Aug-2021\0\\#P M1
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 "TIGER, TIGER BURNING BRIGHT
 IN THE FOREST OF THE NIGHT.
 WHAT IMMORTAL HAND OR EYE
 CAN FRAME THY FEARFUL SYMMETRYE?"
                     - WILLIAM BLAKE
 Job cpu time:       1 days 18 hours 22 minutes 57.6 seconds.
 Elapsed time:       0 days  5 hours 18 minutes  9.6 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 02:36:04 2021.
